CID 3053781

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

Structural Information

Molecular Formula
C16H19N5O3
SMILES
C1CCN(C1)CC(=O)NC(=O)NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H19N5O3/c22-14(9-20-7-3-4-8-20)19-16(24)18-11-21-10-17-13-6-2-1-5-12(13)15(21)23/h1-2,5-6,10H,3-4,7-9,11H2,(H2,18,19,22,24)
InChIKey
GRLAPOZSMVFVIJ-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methylcarbamoyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1488 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15608 175.0
[M+Na]+ 352.13802 184.0
[M+NH4]+ 347.18262 179.7
[M+K]+ 368.11196 181.2
[M-H]- 328.14152 176.2
[M+Na-2H]- 350.12347 179.2
[M]+ 329.14825 175.9
[M]- 329.14935 175.9
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.