CID 42919

10-ethyl-n,n,1-trimethyl-1,2,3,4,5,10-hexahydrocyclohept(b)indole-1-ethanamine hydrochloride

Structural Information

Molecular Formula
C20H30N2
SMILES
CCC1C=CC=CC2=C1C3=C(N2)CCCC3(C)CCN(C)C
InChI
InChI=1S/C20H30N2/c1-5-15-9-6-7-10-16-18(15)19-17(21-16)11-8-12-20(19,2)13-14-22(3)4/h6-7,9-10,15,21H,5,8,11-14H2,1-4H3
InChIKey
BRKVIAVSVZHLCY-UHFFFAOYSA-N
Compound name
2-(10-ethyl-1-methyl-3,4,5,10-tetrahydro-2H-cyclohepta[b]indol-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2409 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.24818 174.4
[M+Na]+ 321.23012 179.5
[M-H]- 297.23362 179.2
[M+NH4]+ 316.27472 193.2
[M+K]+ 337.20406 177.3
[M+H-H2O]+ 281.23816 167.7
[M+HCOO]- 343.23910 191.1
[M+CH3COO]- 357.25475 184.2
[M+Na-2H]- 319.21557 176.0
[M]+ 298.24035 171.1
[M]- 298.24145 171.1
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.