CID 19791

5h-dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(piperidino)ethyl)-

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
C1CCN(CC1)CCN2C3=C(C=C(C=C3)Cl)NC4=CC=CC=C4C2=O
InChI
InChI=1S/C20H22ClN3O/c21-15-8-9-19-18(14-15)22-17-7-3-2-6-16(17)20(25)24(19)13-12-23-10-4-1-5-11-23/h2-3,6-9,14,22H,1,4-5,10-13H2
InChIKey
UMRGWBDONVRWGB-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-piperidin-1-ylethyl)-11H-benzo[b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14514 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 185.2
[M+Na]+ 378.13436 198.3
[M+NH4]+ 373.17896 192.7
[M+K]+ 394.10830 190.2
[M-H]- 354.13786 188.5
[M+Na-2H]- 376.11981 190.4
[M]+ 355.14459 188.3
[M]- 355.14569 188.3
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.