CID 5371728

Oleic acid diethanolamide

Structural Information

Molecular Formula
C22H43NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3/b10-9-
InChIKey
LPMBTLLQQJBUOO-KTKRTIGZSA-N
Compound name
(Z)-N,N-bis(2-hydroxyethyl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

8048
Patents

369.32428 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.331556 202.7
[M+Na]+ 392.313498 202.1
[M-H]- 368.317004 198.6
[M+NH4]+ 387.358103 214.0
[M+K]+ 408.287438 198.0
[M+H-H2O]+ 352.321540 194.8
[M+HCOO]- 414.322481 219.9
[M+CH3COO]- 428.338131 221.8
[M+Na-2H]- 390.298946 198.6
[M]+ 369.32373142 208.8
[M]- 369.32482858 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe