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 198.9
[M+Na]+ 442.18496 201.8
[M-H]- 418.18846 204.0
[M+NH4]+ 437.22956 203.9
[M+K]+ 458.15890 195.9
[M+H-H2O]+ 402.19300 185.9
[M+HCOO]- 464.19394 213.8
[M+CH3COO]- 478.20959 205.1
[M+Na-2H]- 440.17041 202.4
[M]+ 419.19519 194.7
[M]- 419.19629 194.7
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.