PubChemLite - Bms-820132 (C26H33N6O7P)

Structural Information

Molecular Formula

SMILES

CCOP(=O)(CN1C=CC(=N1)NC(=O)C2=CC(=CC(=C2)OC(C)C)OC3=NC=C(N=C3)C(=O)N4CCC4)OCC

InChI

InChI=1S/C26H33N6O7P/c1-5-36-40(35,37-6-2)17-32-11-8-23(30-32)29-25(33)19-12-20(38-18(3)4)14-21(13-19)39-24-16-27-22(15-28-24)26(34)31-9-7-10-31/h8,11-16,18H,5-7,9-10,17H2,1-4H3,(H,29,30,33)

InChIKey

OYUDYQMFVRHPIY-UHFFFAOYSA-N

Compound name

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-[1-(diethoxyphosphorylmethyl)pyrazol-3-yl]-5-propan-2-yloxybenzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	573.22212	232.5
[M+Na]+	595.20406	230.9
[M-H]-	571.20756	236.5
[M+NH4]+	590.24866	223.5
[M+K]+	611.17800	233.6
[M+H-H2O]+	555.21210	210.8
[M+HCOO]-	617.21304	247.9
[M+CH3COO]-	631.22869	256.3
[M+Na-2H]-	593.18951	226.5
[M]+	572.21429	246.2
[M]-	572.21539	246.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.22212

232.5

[M+Na]+

595.20406

230.9

[M-H]-

571.20756

236.5

[M+NH4]+

590.24866

223.5

[M+K]+

611.17800

233.6

[M+H-H2O]+

555.21210

210.8

[M+HCOO]-

617.21304

247.9

[M+CH3COO]-

631.22869

256.3

[M+Na-2H]-

593.18951

226.5

[M]+

572.21429

246.2

[M]-

572.21539

246.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bms-820132

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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