CID 6436063

109-28-4

Structural Information

Molecular Formula
C23H46N2O
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-
InChIKey
UCWYGNTYSWIDSW-QXMHVHEDSA-N
Compound name
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1547
Patents

366.36102 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.36830 205.0
[M+Na]+ 389.35024 204.0
[M-H]- 365.35374 203.5
[M+NH4]+ 384.39484 217.6
[M+K]+ 405.32418 200.4
[M+H-H2O]+ 349.35828 196.3
[M+HCOO]- 411.35922 225.3
[M+CH3COO]- 425.37487 231.1
[M+Na-2H]- 387.33569 201.4
[M]+ 366.36047 211.5
[M]- 366.36157 211.5
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