CID 6436067

(z)-n-(3-aminopropyl)-9-octadecenamide

Structural Information

Molecular Formula
C21H42N2O
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN
InChI
InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h9-10H,2-8,11-20,22H2,1H3,(H,23,24)/b10-9-
InChIKey
ZHNIMKDTJODGTK-KTKRTIGZSA-N
Compound name
(Z)-N-(3-aminopropyl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

338.3297 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.33698 193.9
[M+Na]+ 361.31892 198.7
[M+NH4]+ 356.36352 198.2
[M+K]+ 377.29286 190.4
[M-H]- 337.32242 192.9
[M+Na-2H]- 359.30437 192.9
[M]+ 338.32915 193.7
[M]- 338.33025 193.7
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