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]+ 330.156076 174.1
[M+Na]+ 352.138018 179.1
[M-H]- 328.141524 177.4
[M+NH4]+ 347.182623 185.5
[M+K]+ 368.111958 175.3
[M+H-H2O]+ 312.146060 163.9
[M+HCOO]- 374.147001 192.8
[M+CH3COO]- 388.162651 210.6
[M+Na-2H]- 350.123466 177.5
[M]+ 329.14825142 172.3
[M]- 329.14934858 172.3
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.