CID 124631599

Iminostilbene-10,11-dihydrodiol

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
(5S,6R)-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 146.9
[M+Na]+ 250.08386 158.9
[M+NH4]+ 245.12846 154.9
[M+K]+ 266.05780 153.7
[M-H]- 226.08736 148.7
[M+Na-2H]- 248.06931 152.5
[M]+ 227.09409 149.2
[M]- 227.09519 149.2
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.