CID 86021

Palmitic diisopropanolamine

Structural Information

Molecular Formula
C22H45NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N(CC(C)O)CC(C)O
InChI
InChI=1S/C22H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20(2)24)19-21(3)25/h20-21,24-25H,4-19H2,1-3H3
InChIKey
IFQXKLVYFJPBNF-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxypropyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

371.33994 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.34722 205.8
[M+Na]+ 394.32916 204.4
[M-H]- 370.33266 201.8
[M+NH4]+ 389.37376 214.0
[M+K]+ 410.30310 202.0
[M+H-H2O]+ 354.33720 198.1
[M+HCOO]- 416.33814 220.7
[M+CH3COO]- 430.35379 224.9
[M+Na-2H]- 392.31461 199.0
[M]+ 371.33939 211.3
[M]- 371.34049 211.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe