CID 6478716

N-[4-[(e)-3-(4-oxo-3-phenyl-quinazolin-2-yl)prop-2-enoyl]phenyl]acetamide

Structural Information

Molecular Formula
C25H19N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C25H19N3O3/c1-17(29)26-19-13-11-18(12-14-19)23(30)15-16-24-27-22-10-6-5-9-21(22)25(31)28(24)20-7-3-2-4-8-20/h2-16H,1H3,(H,26,29)/b16-15+
InChIKey
YDSSXWCCIRFSMD-FOCLMDBBSA-N
Compound name
N-[4-[(E)-3-(4-oxo-3-phenylquinazolin-2-yl)prop-2-enoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14992 199.6
[M+Na]+ 432.13186 206.6
[M-H]- 408.13536 207.3
[M+NH4]+ 427.17646 207.0
[M+K]+ 448.10580 199.3
[M+H-H2O]+ 392.13990 187.3
[M+HCOO]- 454.14084 218.3
[M+CH3COO]- 468.15649 208.0
[M+Na-2H]- 430.11731 202.9
[M]+ 409.14209 200.0
[M]- 409.14319 200.0
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.