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 162.0
[M+Na]+ 277.16752 171.3
[M-H]- 253.17102 164.8
[M+NH4]+ 272.21212 182.2
[M+K]+ 293.14146 165.5
[M+H-H2O]+ 237.17556 153.8
[M+HCOO]- 299.17650 176.9
[M+CH3COO]- 313.19215 173.4
[M+Na-2H]- 275.15297 165.3
[M]+ 254.17775 161.9
[M]- 254.17885 161.9
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.