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]+ 337.165906 178.9
[M+Na]+ 359.147848 184.8
[M-H]- 335.151354 184.6
[M+NH4]+ 354.192453 190.2
[M+K]+ 375.121788 180.5
[M+H-H2O]+ 319.155890 167.8
[M+HCOO]- 381.156831 200.8
[M+CH3COO]- 395.172481 218.4
[M+Na-2H]- 357.133296 185.4
[M]+ 336.15808142 180.6
[M]- 336.15917858 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.