CID 208359

32047-66-8

Structural Information

Molecular Formula
C23H22ClN3
SMILES
CN(C)CCN1C2=C(C=C(C=C2)Cl)C(=NC3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C23H22ClN3/c1-26(2)14-15-27-21-13-12-18(24)16-19(21)23(17-8-4-3-5-9-17)25-20-10-6-7-11-22(20)27/h3-13,16H,14-15H2,1-2H3
InChIKey
SNUOZYUMIBOGNS-UHFFFAOYSA-N
Compound name
2-(8-chloro-6-phenylbenzo[b][1,4]benzodiazepin-11-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.15024 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15752 191.8
[M+Na]+ 398.13946 207.8
[M+NH4]+ 393.18406 200.6
[M+K]+ 414.11340 198.1
[M-H]- 374.14296 198.2
[M+Na-2H]- 396.12491 200.9
[M]+ 375.14969 196.6
[M]- 375.15079 196.6
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

patents stripe