CID 124631599

56211-73-5

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1=CC=C2C(=C1)[C@@H]([C@@H](C3=CC=CC=C3N2)O)O
InChI
InChI=1S/C14H13NO2/c16-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(13)17/h1-8,13-17H/t13-,14+
InChIKey
HMSCHZCENLAZOX-OKILXGFUSA-N
Compound name
(5R,6S)-6,11-dihydro-5H-benzo[b][1]benzazepine-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 147.7
[M+Na]+ 250.08386 155.1
[M-H]- 226.08736 149.7
[M+NH4]+ 245.12846 164.0
[M+K]+ 266.05780 153.8
[M+H-H2O]+ 210.09190 142.9
[M+HCOO]- 272.09284 163.3
[M+CH3COO]- 286.10849 158.6
[M+Na-2H]- 248.06931 154.9
[M]+ 227.09409 141.9
[M]- 227.09519 141.9
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

No patent data available for this compound.