CID 6913024

68938-78-3

Structural Information

Molecular Formula
C23H42N2O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)C1=NCCN1CCO
InChI
InChI=1S/C23H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)23-24-18-19-25(23)20-21-26/h9-10,26H,2-8,11-21H2,1H3/b10-9-
InChIKey
IRROUTCOBXRJNZ-KTKRTIGZSA-N
Compound name
(Z)-1-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]octadec-9-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

378.32462 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.33190 203.4
[M+Na]+ 401.31384 204.3
[M-H]- 377.31734 199.9
[M+NH4]+ 396.35844 213.7
[M+K]+ 417.28778 198.7
[M+H-H2O]+ 361.32188 193.8
[M+HCOO]- 423.32282 218.2
[M+CH3COO]- 437.33847 219.8
[M+Na-2H]- 399.29929 198.4
[M]+ 378.32407 207.9
[M]- 378.32517 207.9
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