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

5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.