CID 63607

Brn 6006676

Structural Information

Molecular Formula
C24H22ClN3O
SMILES
CC1=CC=C(C=C1)CCNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H22ClN3O/c1-17-6-8-18(9-7-17)14-15-26-16-23-27-22-5-3-2-4-21(22)24(29)28(23)20-12-10-19(25)11-13-20/h2-13,26H,14-16H2,1H3
InChIKey
GTRCRVXBWICPSR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-[[2-(4-methylphenyl)ethylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15242 199.3
[M+Na]+ 426.13436 208.6
[M-H]- 402.13786 206.8
[M+NH4]+ 421.17896 208.8
[M+K]+ 442.10830 199.3
[M+H-H2O]+ 386.14240 187.4
[M+HCOO]- 448.14334 214.8
[M+CH3COO]- 462.15899 208.3
[M+Na-2H]- 424.11981 203.6
[M]+ 403.14459 202.8
[M]- 403.14569 202.8
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.