CID 9589026

132785-17-2

Structural Information

Molecular Formula
C32H25N5O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N/N=C/C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)CNC(=O)C5=CC=CC=C5
InChI
InChI=1S/C32H25N5O3/c38-30(20-17-23-9-3-1-4-10-23)36-34-21-24-15-18-26(19-16-24)37-29(22-33-31(39)25-11-5-2-6-12-25)35-28-14-8-7-13-27(28)32(37)40/h1-21H,22H2,(H,33,39)(H,36,38)/b20-17+,34-21+
InChIKey
XWOOUKPHXREGBV-KKEPVODCSA-N
Compound name
N-[[4-oxo-3-[4-[(E)-[[(E)-3-phenylprop-2-enoyl]hydrazinylidene]methyl]phenyl]quinazolin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.19574 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.20302 228.0
[M+Na]+ 550.18496 231.6
[M-H]- 526.18846 238.7
[M+NH4]+ 545.22956 229.6
[M+K]+ 566.15890 223.5
[M+H-H2O]+ 510.19300 212.8
[M+HCOO]- 572.19394 248.6
[M+CH3COO]- 586.20959 233.5
[M+Na-2H]- 548.17041 232.4
[M]+ 527.19519 227.2
[M]- 527.19629 227.2
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.