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

270
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

literature stripe

Patent stripe

patents stripe