CID 11379587

291509-61-0

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CNCCC1N2CCC3=CC=CC=C3NC2=O
InChI
InChI=1S/C14H19N3O/c18-14-16-13-4-2-1-3-11(13)7-10-17(14)12-5-8-15-9-6-12/h1-4,12,15H,5-10H2,(H,16,18)
InChIKey
USOSUQZREODCRK-UHFFFAOYSA-N
Compound name
3-piperidin-4-yl-4,5-dihydro-1H-1,3-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

245.15282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 158.1
[M+Na]+ 268.142038 161.4
[M-H]- 244.145544 158.8
[M+NH4]+ 263.186643 169.6
[M+K]+ 284.115978 159.7
[M+H-H2O]+ 228.150080 148.4
[M+HCOO]- 290.151021 168.3
[M+CH3COO]- 304.166671 165.9
[M+Na-2H]- 266.127486 161.4
[M]+ 245.15227142 145.7
[M]- 245.15336858 145.7
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