CID 890067

592467-09-9

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C19H19N3O2/c1-13(2)14-7-9-15(10-8-14)21-18(23)11-22-12-20-17-6-4-3-5-16(17)19(22)24/h3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKey
ZYNNSNWQIHNBAF-UHFFFAOYSA-N
Compound name
2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.3
[M+Na]+ 344.13696 183.7
[M-H]- 320.14046 181.2
[M+NH4]+ 339.18156 188.3
[M+K]+ 360.11090 178.5
[M+H-H2O]+ 304.14500 166.2
[M+HCOO]- 366.14594 195.7
[M+CH3COO]- 380.16159 212.1
[M+Na-2H]- 342.12241 181.0
[M]+ 321.14719 177.3
[M]- 321.14829 177.3
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.