CID 11831572

99010-63-6

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3[N+](=C2)[O-]
InChI
InChI=1S/C14H15N3O/c1-10(2)7-16-9-15-12-8-17(18)13-6-4-3-5-11(13)14(12)16/h3-6,8-10H,7H2,1-2H3
InChIKey
RBKTVDLDAPUNMV-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-5-oxidoimidazo[4,5-c]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

241.1215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.128776 155.0
[M+Na]+ 264.110718 165.2
[M-H]- 240.114224 156.1
[M+NH4]+ 259.155323 171.7
[M+K]+ 280.084658 155.7
[M+H-H2O]+ 224.118760 151.4
[M+HCOO]- 286.119701 173.9
[M+CH3COO]- 300.135351 186.0
[M+Na-2H]- 262.096166 163.2
[M]+ 241.12095142 155.8
[M]- 241.12204858 155.8
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