CID 3048724

63938-28-3

Structural Information

Molecular Formula
C17H19NO3
SMILES
CO[C@@H]1CC23C(=CCN2CCC4=CC(=C(C=C34)O)O)C=C1
InChI
InChI=1S/C17H19NO3/c1-21-13-3-2-12-5-7-18-6-4-11-8-15(19)16(20)9-14(11)17(12,18)10-13/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17?/m0/s1
InChIKey
GNBQGLMYBIWCOO-CWQZNGJJSA-N
Compound name
(2R)-2-methoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline-11,12-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

285.1365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 165.9
[M+Na]+ 308.125718 174.0
[M-H]- 284.129224 168.8
[M+NH4]+ 303.170323 185.6
[M+K]+ 324.099658 168.7
[M+H-H2O]+ 268.133760 158.8
[M+HCOO]- 330.134701 179.9
[M+CH3COO]- 344.150351 176.5
[M+Na-2H]- 306.111166 170.0
[M]+ 285.13595142 164.3
[M]- 285.13704858 164.3
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.