CID 87989022

13-docosenamide, n-[3-(dimethylamino)propyl]-, (13z)-

Structural Information

Molecular Formula
C27H54N2O
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)/b12-11-
InChIKey
AOKZLBCDXJYXOK-QXMHVHEDSA-N
Compound name
(Z)-N-[3-(dimethylamino)propyl]docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

422.4236 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.43088 222.2
[M+Na]+ 445.41282 219.6
[M-H]- 421.41632 219.9
[M+NH4]+ 440.45742 239.1
[M+K]+ 461.38676 215.0
[M+H-H2O]+ 405.42086 212.8
[M+HCOO]- 467.42180 245.3
[M+CH3COO]- 481.43745 242.8
[M+Na-2H]- 443.39827 216.7
[M]+ 422.42305 230.3
[M]- 422.42415 230.3
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