CID 1242

67287-49-4

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
InChIKey
JUDKOGFHZYMDMF-UHFFFAOYSA-N
Compound name
5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2127
References

640
Patents

255.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.3
[M+Na]+ 278.11515 169.9
[M+NH4]+ 273.15975 165.8
[M+K]+ 294.08909 164.4
[M-H]- 254.11865 161.4
[M+Na-2H]- 276.10060 164.8
[M]+ 255.12538 160.8
[M]- 255.12648 160.8
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