CID 597497

Jgqzsblqhctajf-uhfffaoysa-n

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CN1CC(CC2(C1CC3=CNC4=CC=CC2=C34)OC)CO
InChI
InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3
InChIKey
JGQZSBLQHCTAJF-UHFFFAOYSA-N
Compound name
(10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

6
Patents

286.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 168.3
[M+Na]+ 309.15734 176.8
[M-H]- 285.16084 168.5
[M+NH4]+ 304.20194 187.5
[M+K]+ 325.13128 170.7
[M+H-H2O]+ 269.16538 160.5
[M+HCOO]- 331.16632 180.6
[M+CH3COO]- 345.18197 178.2
[M+Na-2H]- 307.14279 173.0
[M]+ 286.16757 167.6
[M]- 286.16867 167.6
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.