CID 6435974

2-(2-(2-(4-chlorophenyl)-1h-indol-3-yl)ethenyl)-3-(4-methoxyphenyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C31H22ClN3O2
SMILES
COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C31H22ClN3O2/c1-37-23-16-14-22(15-17-23)35-29(33-28-9-5-3-7-26(28)31(35)36)19-18-25-24-6-2-4-8-27(24)34-30(25)20-10-12-21(32)13-11-20/h2-19,34H,1H3/b19-18+
InChIKey
ROEBJRVOCWILRZ-VHEBQXMUSA-N
Compound name
2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.14005 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.14733 227.1
[M+Na]+ 526.12927 238.2
[M-H]- 502.13277 236.7
[M+NH4]+ 521.17387 232.8
[M+K]+ 542.10321 226.5
[M+H-H2O]+ 486.13731 213.2
[M+HCOO]- 548.13825 239.0
[M+CH3COO]- 562.15390 234.3
[M+Na-2H]- 524.11472 227.5
[M]+ 503.13950 231.4
[M]- 503.14060 231.4
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.