CID 6435956

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

Structural Information

Molecular Formula
C31H22ClN3O
SMILES
CC1=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/C31H22ClN3O/c1-20-10-16-23(17-11-20)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)21-12-14-22(32)15-13-21/h2-19,34H,1H3/b19-18+
InChIKey
UZEVCISXQYEBAC-VHEBQXMUSA-N
Compound name
2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.14514 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.15242 224.7
[M+Na]+ 510.13436 236.2
[M-H]- 486.13786 234.3
[M+NH4]+ 505.17896 231.2
[M+K]+ 526.10830 223.5
[M+H-H2O]+ 470.14240 210.9
[M+HCOO]- 532.14334 236.5
[M+CH3COO]- 546.15899 232.1
[M+Na-2H]- 508.11981 224.9
[M]+ 487.14459 227.8
[M]- 487.14569 227.8
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.