CID 119875

1,1'-(octadecylimino)dipropan-2-ol

Structural Information

Molecular Formula
C24H51NO2
SMILES
CCCCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C24H51NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h23-24,26-27H,4-22H2,1-3H3
InChIKey
WPNICNOCPSBYTR-UHFFFAOYSA-N
Compound name
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

215
Patents

385.39197 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.39925 212.7
[M+Na]+ 408.38119 210.3
[M-H]- 384.38469 208.2
[M+NH4]+ 403.42579 223.3
[M+K]+ 424.35513 207.0
[M+H-H2O]+ 368.38923 204.5
[M+HCOO]- 430.39017 227.4
[M+CH3COO]- 444.40582 229.5
[M+Na-2H]- 406.36664 206.0
[M]+ 385.39142 218.9
[M]- 385.39252 218.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe