CID 3053777

1-piperidineacetamide, n-(3,4-dihydro-4-oxo-3-quinazolinylmethyl)-4-phenyl-, trihydrochloride

Structural Information

Molecular Formula
C22H24N4O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(=O)NCN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H24N4O2/c27-21(14-25-12-10-18(11-13-25)17-6-2-1-3-7-17)24-16-26-15-23-20-9-5-4-8-19(20)22(26)28/h1-9,15,18H,10-14,16H2,(H,24,27)
InChIKey
QQHRCDVEUHJEAI-UHFFFAOYSA-N
Compound name
N-[(4-oxoquinazolin-3-yl)methyl]-2-(4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 191.1
[M+Na]+ 399.17912 195.5
[M-H]- 375.18262 196.2
[M+NH4]+ 394.22372 198.3
[M+K]+ 415.15306 188.7
[M+H-H2O]+ 359.18716 178.2
[M+HCOO]- 421.18810 205.8
[M+CH3COO]- 435.20375 198.3
[M+Na-2H]- 397.16457 194.8
[M]+ 376.18935 187.0
[M]- 376.19045 187.0
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.