CID 25774982

Dtxsid101045654

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC1=C(C=C2CCN[C@@H]3C2=C1C4=CC=CC=C4C3)O
InChI
InChI=1S/C17H17NO2/c1-20-17-14(19)9-11-6-7-18-13-8-10-4-2-3-5-12(10)16(17)15(11)13/h2-5,9,13,18-19H,6-8H2,1H3/t13-/m0/s1
InChIKey
NBDNEUOVIJYCGZ-ZDUSSCGKSA-N
Compound name
(6aS)-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

1
Patents

267.12592 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 160.1
[M+Na]+ 290.11514 167.5
[M-H]- 266.11864 161.2
[M+NH4]+ 285.15974 177.2
[M+K]+ 306.08908 161.5
[M+H-H2O]+ 250.12318 152.2
[M+HCOO]- 312.12412 172.8
[M+CH3COO]- 326.13977 170.1
[M+Na-2H]- 288.10059 167.0
[M]+ 267.12537 157.7
[M]- 267.12647 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.