CID 63997

Brn 5352873

Structural Information

Molecular Formula
C19H18N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H18N2O4/c1-24-17-8-7-13(11-18(17)25-2)16(22)9-10-21-12-20-15-6-4-3-5-14(15)19(21)23/h3-8,11-12H,9-10H2,1-2H3
InChIKey
HUHNTPUIWSQBPF-UHFFFAOYSA-N
Compound name
3-[3-(3,4-dimethoxyphenyl)-3-oxopropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12665 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 178.7
[M+Na]+ 361.11587 187.7
[M-H]- 337.11937 183.9
[M+NH4]+ 356.16047 190.3
[M+K]+ 377.08981 183.4
[M+H-H2O]+ 321.12391 168.3
[M+HCOO]- 383.12485 198.3
[M+CH3COO]- 397.14050 212.4
[M+Na-2H]- 359.10132 183.2
[M]+ 338.12610 184.2
[M]- 338.12720 184.2
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.