CID 6478718

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

Structural Information

Molecular Formula
C25H18BrN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
InChI
InChI=1S/C25H18BrN3O3/c1-16(30)27-19-10-6-17(7-11-19)23(31)14-15-24-28-22-5-3-2-4-21(22)25(32)29(24)20-12-8-18(26)9-13-20/h2-15H,1H3,(H,27,30)/b15-14+
InChIKey
QYAUZSBPEMTRAS-CCEZHUSRSA-N
Compound name
N-[4-[(E)-3-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]prop-2-enoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

487.05316 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.06044 207.2
[M+Na]+ 510.04238 216.6
[M-H]- 486.04588 217.1
[M+NH4]+ 505.08698 215.8
[M+K]+ 526.01632 202.9
[M+H-H2O]+ 470.05042 202.1
[M+HCOO]- 532.05136 223.5
[M+CH3COO]- 546.06701 216.8
[M+Na-2H]- 508.02783 210.4
[M]+ 487.05261 226.3
[M]- 487.05371 226.3
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.