CID 34594

29465-18-7

Structural Information

Molecular Formula
C18H23F3N2
SMILES
CN(C)CCCN1C2=C(CCCC2)C3=C(C=CC=C31)C(F)(F)F
InChI
InChI=1S/C18H23F3N2/c1-22(2)11-6-12-23-15-9-4-3-7-13(15)17-14(18(19,20)21)8-5-10-16(17)23/h5,8,10H,3-4,6-7,9,11-12H2,1-2H3
InChIKey
XVZJDVHBRMWJMM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[5-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18134 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18862 177.1
[M+Na]+ 347.17056 184.9
[M-H]- 323.17406 178.2
[M+NH4]+ 342.21516 194.6
[M+K]+ 363.14450 179.7
[M+H-H2O]+ 307.17860 166.9
[M+HCOO]- 369.17954 192.8
[M+CH3COO]- 383.19519 215.8
[M+Na-2H]- 345.15601 179.2
[M]+ 324.18079 175.2
[M]- 324.18189 175.2
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.