CID 9588929

169471-16-3

Structural Information

Molecular Formula
C26H19N5O3S
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)/N=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5
InChI
InChI=1S/C26H19N5O3S/c1-34-19-13-11-17(12-14-19)15-22-25(33)31(26(35)29-22)27-16-23-28-21-10-6-5-9-20(21)24(32)30(23)18-7-3-2-4-8-18/h2-16H,1H3,(H,29,35)/b22-15+,27-16+
InChIKey
ZLNUULMRMWEETC-QHPKCYJTSA-N
Compound name
2-[(E)-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]iminomethyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.12085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.12813 215.0
[M+Na]+ 504.11007 231.0
[M+NH4]+ 499.15467 220.1
[M+K]+ 520.08401 221.9
[M-H]- 480.11357 221.1
[M+Na-2H]- 502.09552 223.4
[M]+ 481.12030 219.3
[M]- 481.12140 219.3
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.