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 191.7
[M+Na]+ 398.13946 201.0
[M-H]- 374.14296 199.3
[M+NH4]+ 393.18406 204.0
[M+K]+ 414.11340 197.8
[M+H-H2O]+ 358.14750 181.7
[M+HCOO]- 420.14844 206.5
[M+CH3COO]- 434.16409 201.4
[M+Na-2H]- 396.12491 197.0
[M]+ 375.14969 193.4
[M]- 375.15079 193.4
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