CID 6474630

Nsc657354

Structural Information

Molecular Formula
C25H18N4O3
SMILES
CC1=N/C(=C/C2=CC=CC=C2O)/C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H18N4O3/c1-16-26-21(15-18-11-5-8-14-22(18)30)25(32)28(16)29-23(17-9-3-2-4-10-17)27-20-13-7-6-12-19(20)24(29)31/h2-15,30H,1H3/b21-15+
InChIKey
LCHLZKBAEBXXNK-RCCKNPSSSA-N
Compound name
3-[(4E)-4-[(2-hydroxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.13788 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14516 205.8
[M+Na]+ 445.12710 216.1
[M-H]- 421.13060 214.0
[M+NH4]+ 440.17170 211.8
[M+K]+ 461.10104 206.8
[M+H-H2O]+ 405.13514 192.8
[M+HCOO]- 467.13608 221.4
[M+CH3COO]- 481.15173 214.0
[M+Na-2H]- 443.11255 205.5
[M]+ 422.13733 205.8
[M]- 422.13843 205.8
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.