CID 6478717

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

Structural Information

Molecular Formula
C26H21N3O3
SMILES
CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C(=O)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C26H21N3O3/c1-17-7-13-21(14-8-17)29-25(28-23-6-4-3-5-22(23)26(29)32)16-15-24(31)19-9-11-20(12-10-19)27-18(2)30/h3-16H,1-2H3,(H,27,30)/b16-15+
InChIKey
CLFRUVUFBVYWNE-FOCLMDBBSA-N
Compound name
N-[4-[(E)-3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]prop-2-enoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.1583 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16558 204.6
[M+Na]+ 446.14752 212.0
[M-H]- 422.15102 212.5
[M+NH4]+ 441.19212 211.7
[M+K]+ 462.12146 204.7
[M+H-H2O]+ 406.15556 192.3
[M+HCOO]- 468.15650 222.9
[M+CH3COO]- 482.17215 231.7
[M+Na-2H]- 444.13297 206.5
[M]+ 423.15775 205.7
[M]- 423.15885 205.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.