CID 10060886

(+)-setoclavine

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1(CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C)O
InChI
InChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3
InChIKey
BGVUWLLRNRBDAY-UHFFFAOYSA-N
Compound name
7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

254.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 158.8
[M+Na]+ 277.13112 173.1
[M+NH4]+ 272.17572 170.0
[M+K]+ 293.10506 165.0
[M-H]- 253.13462 160.8
[M+Na-2H]- 275.11657 163.7
[M]+ 254.14135 161.7
[M]- 254.14245 161.7
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

patents stripe