CID 63647

88514-49-2

Structural Information

Molecular Formula
C25H21N3O
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CN4C(=NC5=CC=CC=C5C4=O)C
InChI
InChI=1S/C25H21N3O/c1-16-11-13-18(14-12-16)24-21(19-7-3-5-9-22(19)27-24)15-28-17(2)26-23-10-6-4-8-20(23)25(28)29/h3-14,27H,15H2,1-2H3
InChIKey
IQUDWKOVFMZAAO-UHFFFAOYSA-N
Compound name
2-methyl-3-[[2-(4-methylphenyl)-1H-indol-3-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.16846 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17574 196.0
[M+Na]+ 402.15768 207.6
[M-H]- 378.16118 203.5
[M+NH4]+ 397.20228 206.9
[M+K]+ 418.13162 197.7
[M+H-H2O]+ 362.16572 184.4
[M+HCOO]- 424.16666 213.8
[M+CH3COO]- 438.18231 205.8
[M+Na-2H]- 400.14313 199.0
[M]+ 379.16791 198.2
[M]- 379.16901 198.2
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.