CID 3053783

1-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-3-piperidinoacetylurea tetrahydrochloride

Structural Information

Molecular Formula
C17H21N5O3
SMILES
C1CCN(CC1)CC(=O)NC(=O)NCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H21N5O3/c23-15(10-21-8-4-1-5-9-21)20-17(25)19-12-22-11-18-14-7-3-2-6-13(14)16(22)24/h2-3,6-7,11H,1,4-5,8-10,12H2,(H2,19,20,23,25)
InChIKey
GFXVNUSXMRTJEX-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methylcarbamoyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.16443 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17171 178.6
[M+Na]+ 366.15365 182.3
[M-H]- 342.15715 181.0
[M+NH4]+ 361.19825 187.3
[M+K]+ 382.12759 178.1
[M+H-H2O]+ 326.16169 167.5
[M+HCOO]- 388.16263 194.6
[M+CH3COO]- 402.17828 214.3
[M+Na-2H]- 364.13910 183.3
[M]+ 343.16388 174.8
[M]- 343.16498 174.8
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.