CID 577192

2,3,4,5-tetrahydro-1h-benzo[b][1,4]diazepine

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CNC2=CC=CC=C2NC1
InChI
InChI=1S/C9H12N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10-11H,3,6-7H2
InChIKey
WFDUOXJKEHADRT-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

463
Patents

148.10005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 128.9
[M+Na]+ 171.08927 139.3
[M+NH4]+ 166.13387 137.0
[M+K]+ 187.06321 134.3
[M-H]- 147.09277 130.0
[M+Na-2H]- 169.07472 135.2
[M]+ 148.09950 130.6
[M]- 148.10060 130.6
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