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]+ 339.133926 178.7
[M+Na]+ 361.115868 187.7
[M-H]- 337.119374 183.9
[M+NH4]+ 356.160473 190.3
[M+K]+ 377.089808 183.4
[M+H-H2O]+ 321.123910 168.3
[M+HCOO]- 383.124851 198.3
[M+CH3COO]- 397.140501 212.4
[M+Na-2H]- 359.101316 183.2
[M]+ 338.12610142 184.2
[M]- 338.12719858 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.