CID 51053

Acetamide, n-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-2-(n-ethylanilino)-, trihydrochloride

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CCN(CC(=O)NCN1C=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H20N4O2/c1-2-22(15-8-4-3-5-9-15)12-18(24)21-14-23-13-20-17-11-7-6-10-16(17)19(23)25/h3-11,13H,2,12,14H2,1H3,(H,21,24)
InChIKey
AWBMGXOWZUGMJC-UHFFFAOYSA-N
Compound name
2-(N-ethylanilino)-N-[(4-oxoquinazolin-3-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 178.9
[M+Na]+ 359.14785 184.8
[M-H]- 335.15135 184.6
[M+NH4]+ 354.19245 190.2
[M+K]+ 375.12179 180.5
[M+H-H2O]+ 319.15589 167.8
[M+HCOO]- 381.15683 200.8
[M+CH3COO]- 395.17248 218.4
[M+Na-2H]- 357.13330 185.4
[M]+ 336.15808 180.6
[M]- 336.15918 180.6
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.