CID 7163

N,n-bis(2-hydroxyethyl)stearamide

Structural Information

Molecular Formula
C22H45NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h24-25H,2-21H2,1H3
InChIKey
XGZOMURMPLSSKQ-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6029
Patents

371.33994 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.34722 204.1
[M+Na]+ 394.32916 203.0
[M-H]- 370.33266 199.9
[M+NH4]+ 389.37376 215.3
[M+K]+ 410.30310 199.6
[M+H-H2O]+ 354.33720 196.0
[M+HCOO]- 416.33814 221.0
[M+CH3COO]- 430.35379 223.3
[M+Na-2H]- 392.31461 199.9
[M]+ 371.33939 210.9
[M]- 371.34049 210.9
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