CID 3048724

Erysopine, hydrochloride

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

2
References

2
Patents

285.1365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 165.9
[M+Na]+ 308.12572 174.0
[M-H]- 284.12922 168.8
[M+NH4]+ 303.17032 185.6
[M+K]+ 324.09966 168.7
[M+H-H2O]+ 268.13376 158.8
[M+HCOO]- 330.13470 179.9
[M+CH3COO]- 344.15035 176.5
[M+Na-2H]- 306.11117 170.0
[M]+ 285.13595 164.3
[M]- 285.13705 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.