CID 13336285

1,3-dihydro-5-phenyl-1-(4-piperidinyl)-2h-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C20H21N3O
SMILES
C1CNCCC1N2C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3O/c24-19-14-22-20(15-6-2-1-3-7-15)17-8-4-5-9-18(17)23(19)16-10-12-21-13-11-16/h1-9,16,21H,10-14H2
InChIKey
QIJMFWQPPHVNGE-UHFFFAOYSA-N
Compound name
5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

319.16846 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17574 179.5
[M+Na]+ 342.15768 184.1
[M-H]- 318.16118 184.6
[M+NH4]+ 337.20228 188.6
[M+K]+ 358.13162 181.0
[M+H-H2O]+ 302.16572 168.3
[M+HCOO]- 364.16666 191.7
[M+CH3COO]- 378.18231 187.1
[M+Na-2H]- 340.14313 182.5
[M]+ 319.16791 169.9
[M]- 319.16901 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe