CID 5279048

Chembl433782

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CC1=NC=C(N1CCOC(C2CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H25N3O3/c1-15-20-14-18(22(23)24)21(15)12-13-25-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,14,17,19H,3,6-7,10-13H2,1H3
InChIKey
AAXXMQQUPDDYOT-UHFFFAOYSA-N
Compound name
1-[2-[cyclohexyl(phenyl)methoxy]ethyl]-2-methyl-5-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 183.1
[M+Na]+ 366.17882 184.8
[M-H]- 342.18232 188.9
[M+NH4]+ 361.22342 193.4
[M+K]+ 382.15276 177.1
[M+H-H2O]+ 326.18686 176.8
[M+HCOO]- 388.18780 201.0
[M+CH3COO]- 402.20345 205.7
[M+Na-2H]- 364.16427 184.4
[M]+ 343.18905 178.7
[M]- 343.19015 178.7
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

No patent data available for this compound.