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]+ 258.185256 160.7
[M+Na]+ 280.167198 166.1
[M-H]- 256.170704 164.1
[M+NH4]+ 275.211803 180.9
[M+K]+ 296.141138 161.2
[M+H-H2O]+ 240.175240 152.9
[M+HCOO]- 302.176181 174.2
[M+CH3COO]- 316.191831 171.0
[M+Na-2H]- 278.152646 163.3
[M]+ 257.17743142 155.9
[M]- 257.17852858 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.