CID 6603820

(+)-dihydrexidine

Structural Information

Molecular Formula
C17H17NO2
SMILES
C1CC2=CC(=C(C=C2[C@@H]3[C@@H]1NCC4=CC=CC=C34)O)O
InChI
InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17-/m1/s1
InChIKey
BGOQGUHWXBGXJW-RHSMWYFYSA-N
Compound name
(6aR,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

106
References

1566
Patents

267.12592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 161.3
[M+Na]+ 290.11514 175.5
[M+NH4]+ 285.15974 171.0
[M+K]+ 306.08908 167.4
[M-H]- 266.11864 164.4
[M+Na-2H]- 288.10059 165.6
[M]+ 267.12537 164.2
[M]- 267.12647 164.2
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

patents stripe