CID 6436482

(z)-n-(2-hydroxyethyl)docos-13-enamide

Structural Information

Molecular Formula
C24H47NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKey
UGYSMGXRWBTMRZ-KTKRTIGZSA-N
Compound name
(Z)-N-(2-hydroxyethyl)docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

60
Patents

381.3607 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.367976 207.5
[M+Na]+ 404.349918 206.4
[M-H]- 380.353424 203.0
[M+NH4]+ 399.394523 218.5
[M+K]+ 420.323858 200.7
[M+H-H2O]+ 364.357960 199.4
[M+HCOO]- 426.358901 224.8
[M+CH3COO]- 440.374551 225.1
[M+Na-2H]- 402.335366 203.6
[M]+ 381.36015142 213.6
[M]- 381.36124858 213.6
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