CID 484122

2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1h)-one

Structural Information

Molecular Formula
C16H16N2O3
SMILES
COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)OC
InChI
InChI=1S/C16H16N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-17-12-6-4-3-5-11(12)16(19)18-15/h3-9,15,17H,1-2H3,(H,18,19)
InChIKey
YZIVOOSZLQIMSY-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

284.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.123376 165.8
[M+Na]+ 307.105318 173.7
[M-H]- 283.108824 168.1
[M+NH4]+ 302.149923 178.5
[M+K]+ 323.079258 168.1
[M+H-H2O]+ 267.113360 156.8
[M+HCOO]- 329.114301 181.4
[M+CH3COO]- 343.129951 175.8
[M+Na-2H]- 305.090766 170.3
[M]+ 284.11555142 163.9
[M]- 284.11664858 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe