CID 3077021

Brn 5817606

Structural Information

Molecular Formula
C14H15N3O
SMILES
CCCN1C2=CC=CC=C2C3=C(C1=O)N=CN3C
InChI
InChI=1S/C14H15N3O/c1-3-8-17-11-7-5-4-6-10(11)13-12(14(17)18)15-9-16(13)2/h4-7,9H,3,8H2,1-2H3
InChIKey
OKJLBBFBIFZBFL-UHFFFAOYSA-N
Compound name
1-methyl-5-propylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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 154.7
[M+Na]+ 264.110718 167.8
[M-H]- 240.114224 157.4
[M+NH4]+ 259.155323 173.1
[M+K]+ 280.084658 162.3
[M+H-H2O]+ 224.118760 146.5
[M+HCOO]- 286.119701 175.8
[M+CH3COO]- 300.135351 168.0
[M+Na-2H]- 262.096166 161.4
[M]+ 241.12095142 159.9
[M]- 241.12204858 159.9
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