CID 36046

10,11-dihydro-5h-dibenzo(b,e)(1,4)diazepine hydrochloride

Structural Information

Molecular Formula
C13H12N2
SMILES
C1C2=CC=CC=C2NC3=CC=CC=C3N1
InChI
InChI=1S/C13H12N2/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15-11/h1-8,14-15H,9H2
InChIKey
OMGNOSZSCQGCGV-UHFFFAOYSA-N
Compound name
6,11-dihydro-5H-benzo[b][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

341
Patents

196.10005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10733 140.8
[M+Na]+ 219.08927 147.7
[M-H]- 195.09277 142.1
[M+NH4]+ 214.13387 157.2
[M+K]+ 235.06321 145.4
[M+H-H2O]+ 179.09731 134.4
[M+HCOO]- 241.09825 156.6
[M+CH3COO]- 255.11390 151.7
[M+Na-2H]- 217.07472 150.3
[M]+ 196.09950 133.4
[M]- 196.10060 133.4
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

No patent data available for this compound.