CID 4663033

6-amino-1-isopropyl-7-methyl-4-phenylquinazolin-2(1h)-one

Structural Information

Molecular Formula
C18H19N3O
SMILES
CC1=CC2=C(C=C1N)C(=NC(=O)N2C(C)C)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O/c1-11(2)21-16-9-12(3)15(19)10-14(16)17(20-18(21)22)13-7-5-4-6-8-13/h4-11H,19H2,1-3H3
InChIKey
IJKRCDLJZQBETB-UHFFFAOYSA-N
Compound name
6-amino-7-methyl-4-phenyl-1-propan-2-ylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 171.3
[M+Na]+ 316.14202 181.3
[M-H]- 292.14552 176.6
[M+NH4]+ 311.18662 185.0
[M+K]+ 332.11596 175.4
[M+H-H2O]+ 276.15006 161.9
[M+HCOO]- 338.15100 191.0
[M+CH3COO]- 352.16665 182.6
[M+Na-2H]- 314.12747 175.0
[M]+ 293.15225 171.9
[M]- 293.15335 171.9
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

patents stripe