CID 105621

Isostearamidopropyl dimethylamine

Structural Information

Molecular Formula
C23H48N2O
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C23H48N2O/c1-22(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23(26)24-20-17-21-25(3)4/h22H,5-21H2,1-4H3,(H,24,26)
InChIKey
NZXVYLJKFYSEPO-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-16-methylheptadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3871
Patents

368.37668 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.38396 207.6
[M+Na]+ 391.36590 206.0
[M-H]- 367.36940 206.1
[M+NH4]+ 386.41050 220.0
[M+K]+ 407.33984 203.5
[M+H-H2O]+ 351.37394 198.9
[M+HCOO]- 413.37488 226.6
[M+CH3COO]- 427.39053 233.3
[M+Na-2H]- 389.35135 202.6
[M]+ 368.37613 214.2
[M]- 368.37723 214.2
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