CID 63629

Brn 4588625

Structural Information

Molecular Formula
C27H19ClN4O
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)N
InChI
InChI=1S/C27H19ClN4O/c28-23-15-14-21(16-24(23)29)32-26(31-25-9-5-4-8-22(25)27(32)33)19-10-12-20(13-11-19)30-17-18-6-2-1-3-7-18/h1-17H,29H2
InChIKey
LKFDXSLQQJSNNV-UHFFFAOYSA-N
Compound name
3-(3-amino-4-chlorophenyl)-2-[4-(benzylideneamino)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.12473 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.13201 212.8
[M+Na]+ 473.11395 222.6
[M-H]- 449.11745 224.1
[M+NH4]+ 468.15855 219.8
[M+K]+ 489.08789 212.5
[M+H-H2O]+ 433.12199 199.0
[M+HCOO]- 495.12293 230.1
[M+CH3COO]- 509.13858 221.3
[M+Na-2H]- 471.09940 217.0
[M]+ 450.12418 214.5
[M]- 450.12528 214.5
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.