CID 3077022

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1-(phenylmethyl)-

Structural Information

Molecular Formula
C21H21N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N=CN3CC4=CC=CC=C4
InChI
InChI=1S/C21H21N3O/c1-2-3-13-24-18-12-8-7-11-17(18)20-19(21(24)25)22-15-23(20)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3
InChIKey
NQLPXGPQVKGCPR-UHFFFAOYSA-N
Compound name
1-benzyl-5-butylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

331.16846 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17574 181.7
[M+Na]+ 354.15768 192.6
[M-H]- 330.16118 186.7
[M+NH4]+ 349.20228 195.5
[M+K]+ 370.13162 184.8
[M+H-H2O]+ 314.16572 170.9
[M+HCOO]- 376.16666 201.4
[M+CH3COO]- 390.18231 192.5
[M+Na-2H]- 352.14313 186.6
[M]+ 331.16791 186.2
[M]- 331.16901 186.2
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