CID 63940

88514-48-1

Structural Information

Molecular Formula
C24H19N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H19N3O/c1-16-25-22-14-8-6-12-19(22)24(28)27(16)15-20-18-11-5-7-13-21(18)26-23(20)17-9-3-2-4-10-17/h2-14,26H,15H2,1H3
InChIKey
KLWBQNNCOUMXIH-UHFFFAOYSA-N
Compound name
2-methyl-3-[(2-phenyl-1H-indol-3-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1528 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16008 190.5
[M+Na]+ 388.14202 201.7
[M-H]- 364.14552 197.8
[M+NH4]+ 383.18662 201.7
[M+K]+ 404.11596 191.9
[M+H-H2O]+ 348.15006 178.9
[M+HCOO]- 410.15100 208.7
[M+CH3COO]- 424.16665 200.4
[M+Na-2H]- 386.12747 194.8
[M]+ 365.15225 191.9
[M]- 365.15335 191.9
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.