CID 63542

74101-64-7

Structural Information

Molecular Formula
C27H25N3O3
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC(=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)C
InChI
InChI=1S/C27H25N3O3/c1-16-7-5-6-8-23(16)30-17(2)29-22-13-19(9-10-20(22)27(30)31)26-21-15-25(33-4)24(32-3)14-18(21)11-12-28-26/h5-10,13-15H,11-12H2,1-4H3
InChIKey
VDKTUCBIXJLYCP-UHFFFAOYSA-N
Compound name
7-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-methyl-3-(2-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19688 214.7
[M+Na]+ 462.17882 224.7
[M-H]- 438.18232 222.4
[M+NH4]+ 457.22342 221.5
[M+K]+ 478.15276 217.2
[M+H-H2O]+ 422.18686 200.4
[M+HCOO]- 484.18780 229.2
[M+CH3COO]- 498.20345 222.7
[M+Na-2H]- 460.16427 216.6
[M]+ 439.18905 218.5
[M]- 439.19015 218.5
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.