PubChemLite - 1628416-28-3 (C27H23FN4O4)

Structural Information

Molecular Formula

SMILES

CCOC1=CC2=C(C=C1)C(=NN(C2=O)CC(=O)N(C)C3=CC4=C(C=C3)N=C(O4)C)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23FN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3

InChIKey

XRPSUWYWZUQALB-UHFFFAOYSA-N

Compound name

2-[7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2-yl]-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide

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]+	487.17760	220.9
[M+Na]+	509.15954	231.2
[M-H]-	485.16304	230.5
[M+NH4]+	504.20414	226.6
[M+K]+	525.13348	226.2
[M+H-H2O]+	469.16758	207.3
[M+HCOO]-	531.16852	238.3
[M+CH3COO]-	545.18417	229.5
[M+Na-2H]-	507.14499	221.5
[M]+	486.16977	228.7
[M]-	486.17087	228.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.17760

220.9

[M+Na]+

509.15954

231.2

[M-H]-

485.16304

230.5

[M+NH4]+

504.20414

226.6

[M+K]+

525.13348

226.2

[M+H-H2O]+

469.16758

207.3

[M+HCOO]-

531.16852

238.3

[M+CH3COO]-

545.18417

229.5

[M+Na-2H]-

507.14499

221.5

[M]+

486.16977

228.7

[M]-

486.17087

228.7

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

1628416-28-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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