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]+ 420.203016 198.9
[M+Na]+ 442.184958 201.8
[M-H]- 418.188464 204.0
[M+NH4]+ 437.229563 203.9
[M+K]+ 458.158898 195.9
[M+H-H2O]+ 402.193000 185.9
[M+HCOO]- 464.193941 213.8
[M+CH3COO]- 478.209591 205.1
[M+Na-2H]- 440.170406 202.4
[M]+ 419.19519142 194.7
[M]- 419.19628858 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.