CID 14818778

(z)-1,1'-(octadec-9-enylimino)dipropan-2-ol

Structural Information

Molecular Formula
C24H49NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C24H49NO2/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/h11-12,23-24,26-27H,4-10,13-22H2,1-3H3/b12-11-
InChIKey
KXLSRCCPXGKFDN-QXMHVHEDSA-N
Compound name
1-[2-hydroxypropyl-[(Z)-octadec-9-enyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

383.37634 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.383616 211.3
[M+Na]+ 406.365558 209.3
[M-H]- 382.369064 206.8
[M+NH4]+ 401.410163 222.0
[M+K]+ 422.339498 205.3
[M+H-H2O]+ 366.373600 203.3
[M+HCOO]- 428.374541 226.3
[M+CH3COO]- 442.390191 228.0
[M+Na-2H]- 404.351006 204.7
[M]+ 383.37579142 216.7
[M]- 383.37688858 216.7
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