CID 3077017

133305-92-7

Structural Information

Molecular Formula
C15H17N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N=CN3C
InChI
InChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h5-8,10H,3-4,9H2,1-2H3
InChIKey
CVLGNWUGFVTZRC-UHFFFAOYSA-N
Compound name
5-butyl-1-methylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

255.13716 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 159.4
[M+Na]+ 278.126378 172.0
[M-H]- 254.129884 161.9
[M+NH4]+ 273.170983 177.2
[M+K]+ 294.100318 166.3
[M+H-H2O]+ 238.134420 151.0
[M+HCOO]- 300.135361 180.1
[M+CH3COO]- 314.151011 172.2
[M+Na-2H]- 276.111826 165.5
[M]+ 255.13661142 164.9
[M]- 255.13770858 164.9
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