CID 34596

29465-19-8

Structural Information

Molecular Formula
C17H21F3N2
SMILES
CN(C)CCN1C2=C(CCCC2)C3=C(C=CC=C31)C(F)(F)F
InChI
InChI=1S/C17H21F3N2/c1-21(2)10-11-22-14-8-4-3-6-12(14)16-13(17(18,19)20)7-5-9-15(16)22/h5,7,9H,3-4,6,8,10-11H2,1-2H3
InChIKey
HBMCNANWHNLLLT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[5-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16568 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17296 172.3
[M+Na]+ 333.15490 180.6
[M-H]- 309.15840 173.6
[M+NH4]+ 328.19950 190.4
[M+K]+ 349.12884 175.6
[M+H-H2O]+ 293.16294 162.3
[M+HCOO]- 355.16388 188.4
[M+CH3COO]- 369.17953 212.9
[M+Na-2H]- 331.14035 175.0
[M]+ 310.16513 170.1
[M]- 310.16623 170.1
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.