CID 63645

88514-42-5

Structural Information

Molecular Formula
C23H16ClN3O
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)CN4C=NC5=CC=CC=C5C4=O
InChI
InChI=1S/C23H16ClN3O/c24-16-11-9-15(10-12-16)22-19(17-5-1-4-8-21(17)26-22)13-27-14-25-20-7-3-2-6-18(20)23(27)28/h1-12,14,26H,13H2
InChIKey
PZVIKHHHSSCICY-UHFFFAOYSA-N
Compound name
3-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.09818 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10546 192.5
[M+Na]+ 408.08740 204.8
[M-H]- 384.09090 199.5
[M+NH4]+ 403.13200 203.7
[M+K]+ 424.06134 194.2
[M+H-H2O]+ 368.09544 181.1
[M+HCOO]- 430.09638 206.3
[M+CH3COO]- 444.11203 202.4
[M+Na-2H]- 406.07285 196.8
[M]+ 385.09763 196.0
[M]- 385.09873 196.0
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.