CID 63852

74101-76-1

Structural Information

Molecular Formula
C27H29N3O3
SMILES
CC1=C(C=C(C=C1)CNCCC2=CC(=C(C=C2)OC)OC)N3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C27H29N3O3/c1-18-9-10-21(17-28-14-13-20-11-12-25(32-3)26(16-20)33-4)15-24(18)30-19(2)29-23-8-6-5-7-22(23)27(30)31/h5-12,15-16,28H,13-14,17H2,1-4H3
InChIKey
TZYZTIMOHKEWGN-UHFFFAOYSA-N
Compound name
3-[5-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-2-methylphenyl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.2209 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.22818 214.0
[M+Na]+ 466.21012 222.3
[M-H]- 442.21362 222.0
[M+NH4]+ 461.25472 221.1
[M+K]+ 482.18406 215.5
[M+H-H2O]+ 426.21816 200.9
[M+HCOO]- 488.21910 233.2
[M+CH3COO]- 502.23475 238.4
[M+Na-2H]- 464.19557 215.7
[M]+ 443.22035 219.5
[M]- 443.22145 219.5
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.