CID 63949

Brn 5625515

Structural Information

Molecular Formula
C24H23N3O
SMILES
CC1=CC=C(C=C1)CCNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C24H23N3O/c1-18-11-13-19(14-12-18)15-16-25-17-23-26-22-10-6-5-9-21(22)24(28)27(23)20-7-3-2-4-8-20/h2-14,25H,15-17H2,1H3
InChIKey
YCXRIZCQXGWQKF-UHFFFAOYSA-N
Compound name
2-[[2-(4-methylphenyl)ethylamino]methyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1841 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19138 191.9
[M+Na]+ 392.17332 199.6
[M-H]- 368.17682 199.4
[M+NH4]+ 387.21792 201.6
[M+K]+ 408.14726 191.4
[M+H-H2O]+ 352.18136 179.6
[M+HCOO]- 414.18230 212.1
[M+CH3COO]- 428.19795 201.1
[M+Na-2H]- 390.15877 197.6
[M]+ 369.18355 192.6
[M]- 369.18465 192.6
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.