PubChemLite - 1217271-02-7 (C28H52N4O2)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(C1)(C)CN=CC(C)(C)CN2CCOCC2)N=CC(C)(C)CN3CCOCC3)C

InChI

InChI=1S/C28H52N4O2/c1-25(2)16-24(30-20-27(5,6)23-32-10-14-34-15-11-32)17-28(7,18-25)21-29-19-26(3,4)22-31-8-12-33-13-9-31/h19-20,24H,8-18,21-23H2,1-7H3

InChIKey

YXDMBOANBIPTTC-UHFFFAOYSA-N

Compound name

N-[[5-[(2,2-dimethyl-3-morpholin-4-ylpropylidene)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,2-dimethyl-3-morpholin-4-ylpropan-1-imine

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]+	477.41631	222.1
[M+Na]+	499.39825	219.4
[M-H]-	475.40175	228.5
[M+NH4]+	494.44285	228.3
[M+K]+	515.37219	219.1
[M+H-H2O]+	459.40629	211.0
[M+HCOO]-	521.40723	228.2
[M+CH3COO]-	535.42288	246.9
[M+Na-2H]-	497.38370	223.2
[M]+	476.40848	216.9
[M]-	476.40958	216.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.41631

222.1

[M+Na]+

499.39825

219.4

[M-H]-

475.40175

228.5

[M+NH4]+

494.44285

228.3

[M+K]+

515.37219

219.1

[M+H-H2O]+

459.40629

211.0

[M+HCOO]-

521.40723

228.2

[M+CH3COO]-

535.42288

246.9

[M+Na-2H]-

497.38370

223.2

[M]+

476.40848

216.9

[M]-

476.40958

216.9

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

1217271-02-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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