CID 63609

Brn 6005425

Structural Information

Molecular Formula
C24H23N3O3
SMILES
COC1=C(C=C(C=C1)CNCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC
InChI
InChI=1S/C24H23N3O3/c1-29-21-13-12-17(14-22(21)30-2)15-25-16-23-26-20-11-7-6-10-19(20)24(28)27(23)18-8-4-3-5-9-18/h3-14,25H,15-16H2,1-2H3
InChIKey
MWZCEDJQRKRULW-UHFFFAOYSA-N
Compound name
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.17395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 198.8
[M+Na]+ 424.16317 206.8
[M-H]- 400.16667 206.7
[M+NH4]+ 419.20777 207.1
[M+K]+ 440.13711 200.3
[M+H-H2O]+ 384.17121 186.1
[M+HCOO]- 446.17215 219.2
[M+CH3COO]- 460.18780 207.9
[M+Na-2H]- 422.14862 203.8
[M]+ 401.17340 202.5
[M]- 401.17450 202.5
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.