CID 218294

5h-pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride

Structural Information

Molecular Formula
C20H28F3N3
SMILES
CC1(CC2=C(C3=C(N2CCN(C)C)C=CC(=C3)C(F)(F)F)C(N1)(C)C)C
InChI
InChI=1S/C20H28F3N3/c1-18(2)12-16-17(19(3,4)24-18)14-11-13(20(21,22)23)7-8-15(14)26(16)10-9-25(5)6/h7-8,11,24H,9-10,12H2,1-6H3
InChIKey
DCJRDSPIWVZZMG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-2,4-dihydropyrido[4,3-b]indol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22354 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23082 187.9
[M+Na]+ 390.21276 198.4
[M-H]- 366.21626 187.4
[M+NH4]+ 385.25736 206.4
[M+K]+ 406.18670 192.4
[M+H-H2O]+ 350.22080 178.5
[M+HCOO]- 412.22174 200.2
[M+CH3COO]- 426.23739 223.4
[M+Na-2H]- 388.19821 189.9
[M]+ 367.22299 187.0
[M]- 367.22409 187.0
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.