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 185.0
[M+Na]+ 378.13436 192.0
[M-H]- 354.13786 187.7
[M+NH4]+ 373.17896 195.3
[M+K]+ 394.10830 187.6
[M+H-H2O]+ 338.14240 174.2
[M+HCOO]- 400.14334 191.5
[M+CH3COO]- 414.15899 192.4
[M+Na-2H]- 376.11981 187.6
[M]+ 355.14459 179.0
[M]- 355.14569 179.1
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.