CID 63423

4(1h)-quinazolinone, 2,3-dihydro-1-(dimethylaminoacetyl)-3-(p-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CN(C)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H21N3O3/c1-20(2)12-18(23)22-13-21(14-8-10-15(25-3)11-9-14)19(24)16-6-4-5-7-17(16)22/h4-11H,12-13H2,1-3H3
InChIKey
OKWDXRXCTUVJFM-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 180.7
[M+Na]+ 362.14752 187.2
[M-H]- 338.15102 186.5
[M+NH4]+ 357.19212 192.6
[M+K]+ 378.12146 184.0
[M+H-H2O]+ 322.15556 170.2
[M+HCOO]- 384.15650 198.9
[M+CH3COO]- 398.17215 218.6
[M+Na-2H]- 360.13297 183.2
[M]+ 339.15775 182.5
[M]- 339.15885 182.5
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.