CID 104328

Isostearic diethanolamide

Structural Information

Molecular Formula
C22H45NO3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C22H45NO3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)23(17-19-24)18-20-25/h21,24-25H,3-20H2,1-2H3
InChIKey
XHUUHJFOYQREKL-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-16-methylheptadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2357
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 205.1
[M+Na]+ 394.32916 203.9
[M-H]- 370.33266 201.0
[M+NH4]+ 389.37376 216.3
[M+K]+ 410.30310 201.0
[M+H-H2O]+ 354.33720 197.2
[M+HCOO]- 416.33814 221.0
[M+CH3COO]- 430.35379 224.1
[M+Na-2H]- 392.31461 199.6
[M]+ 371.33939 211.2
[M]- 371.34049 211.2
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