CID 202995

2-methoxy-5,6,6a,7,7a,8,9,10,11,12a-decahydrobenzo(g)pyrido(1,2-a)indole hydrochloride

Structural Information

Molecular Formula
C17H23NO
SMILES
COC1=CC2=C(CCC3C2N4CCCCC4C3)C=C1
InChI
InChI=1S/C17H23NO/c1-19-15-8-7-12-5-6-13-10-14-4-2-3-9-18(14)17(13)16(12)11-15/h7-8,11,13-14,17H,2-6,9-10H2,1H3
InChIKey
IMMKPTDCNDLBHD-UHFFFAOYSA-N
Compound name
2-methoxy-5,6,6a,7,7a,8,9,10,11,12a-decahydronaphtho[2,1-b]indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 160.7
[M+Na]+ 280.16720 166.1
[M-H]- 256.17070 164.1
[M+NH4]+ 275.21180 180.9
[M+K]+ 296.14114 161.2
[M+H-H2O]+ 240.17524 152.9
[M+HCOO]- 302.17618 174.2
[M+CH3COO]- 316.19183 171.0
[M+Na-2H]- 278.15265 163.3
[M]+ 257.17743 155.9
[M]- 257.17853 155.9
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.