CID 3053793

Urea, 1-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-3-(n-ethylanilinoacetyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C20H21N5O3
SMILES
CCN(CC(=O)NC(=O)NCN1C=NC2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21N5O3/c1-2-24(15-8-4-3-5-9-15)12-18(26)23-20(28)22-14-25-13-21-17-11-7-6-10-16(17)19(25)27/h3-11,13H,2,12,14H2,1H3,(H2,22,23,26,28)
InChIKey
OVCALHYMCOYVAK-UHFFFAOYSA-N
Compound name
2-(N-ethylanilino)-N-[(4-oxoquinazolin-3-yl)methylcarbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.16443 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17171 188.0
[M+Na]+ 402.15365 192.5
[M-H]- 378.15715 193.8
[M+NH4]+ 397.19825 197.1
[M+K]+ 418.12759 189.0
[M+H-H2O]+ 362.16169 176.7
[M+HCOO]- 424.16263 210.1
[M+CH3COO]- 438.17828 227.7
[M+Na-2H]- 400.13910 193.9
[M]+ 379.16388 189.4
[M]- 379.16498 189.4
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.