CID 9589023

132785-14-9

Structural Information

Molecular Formula
C30H21ClN4O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N/N=C/C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5Cl
InChI
InChI=1S/C30H21ClN4O2/c31-26-12-6-4-10-24(26)29-33-27-13-7-5-11-25(27)30(37)35(29)23-17-14-22(15-18-23)20-32-34-28(36)19-16-21-8-2-1-3-9-21/h1-20H,(H,34,36)/b19-16+,32-20+
InChIKey
XIFSREDARZNSBH-JBFVYVHJSA-N
Compound name
(E)-N-[(E)-[4-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.1353 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14258 225.1
[M+Na]+ 527.12452 232.5
[M-H]- 503.12802 236.1
[M+NH4]+ 522.16912 229.4
[M+K]+ 543.09846 222.4
[M+H-H2O]+ 487.13256 210.5
[M+HCOO]- 549.13350 241.5
[M+CH3COO]- 563.14915 231.9
[M+Na-2H]- 525.10997 228.7
[M]+ 504.13475 227.4
[M]- 504.13585 227.4
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.