CID 3053787

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

Structural Information

Molecular Formula
C23H25N5O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(=O)NC(=O)NCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H25N5O3/c29-21(14-27-12-10-18(11-13-27)17-6-2-1-3-7-17)26-23(31)25-16-28-15-24-20-9-5-4-8-19(20)22(28)30/h1-9,15,18H,10-14,16H2,(H2,25,26,29,31)
InChIKey
FSCDGLKZTPGHMJ-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methylcarbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.19574 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20302 199.7
[M+Na]+ 442.18496 211.7
[M+NH4]+ 437.22956 204.7
[M+K]+ 458.15890 204.8
[M-H]- 418.18846 204.5
[M+Na-2H]- 440.17041 207.0
[M]+ 419.19519 202.4
[M]- 419.19629 202.4
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.