CID 280033

24898-95-1

Structural Information

Molecular Formula
C14H16N4O
SMILES
CCCCN1C=NC2=C(C1=O)C3=C(C=C2)NC(=N3)C
InChI
InChI=1S/C14H16N4O/c1-3-4-7-18-8-15-10-5-6-11-13(12(10)14(18)19)17-9(2)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKey
JKKSHBAHRNPENM-UHFFFAOYSA-N
Compound name
8-butyl-2-methyl-3H-imidazo[4,5-f]quinazolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 160.7
[M+Na]+ 279.12164 173.2
[M-H]- 255.12514 160.6
[M+NH4]+ 274.16624 176.2
[M+K]+ 295.09558 166.7
[M+H-H2O]+ 239.12968 151.9
[M+HCOO]- 301.13062 178.8
[M+CH3COO]- 315.14627 172.4
[M+Na-2H]- 277.10709 166.7
[M]+ 256.13187 164.5
[M]- 256.13297 164.5
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.