CID 100076

1-methylfestuclavine

Structural Information

Molecular Formula
C17H22N2
SMILES
CC1CC2C(CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C17H22N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-6,10-11,14,16H,7-9H2,1-3H3
InChIKey
ADPVUBKUMMKOKD-UHFFFAOYSA-N
Compound name
4,7,9-trimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 160.4
[M+Na]+ 277.16752 175.4
[M+NH4]+ 272.21212 171.2
[M+K]+ 293.14146 168.1
[M-H]- 253.17102 163.8
[M+Na-2H]- 275.15297 164.1
[M]+ 254.17775 163.7
[M]- 254.17885 163.7
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

No patent data available for this compound.