CID 34598

29465-21-2

Structural Information

Molecular Formula
C21H28F3N3
SMILES
CN1CCN(CC1)CCCN2C3=C(CCCC3)C4=C(C=CC=C42)C(F)(F)F
InChI
InChI=1S/C21H28F3N3/c1-25-12-14-26(15-13-25)10-5-11-27-18-8-3-2-6-16(18)20-17(21(22,23)24)7-4-9-19(20)27/h4,7,9H,2-3,5-6,8,10-15H2,1H3
InChIKey
PNZDQLKPHFYKDU-UHFFFAOYSA-N
Compound name
9-[3-(4-methylpiperazin-1-yl)propyl]-5-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.22354 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23082 195.9
[M+Na]+ 402.21276 202.2
[M-H]- 378.21626 195.0
[M+NH4]+ 397.25736 207.4
[M+K]+ 418.18670 194.3
[M+H-H2O]+ 362.22080 182.6
[M+HCOO]- 424.22174 203.2
[M+CH3COO]- 438.23739 202.3
[M+Na-2H]- 400.19821 194.4
[M]+ 379.22299 188.9
[M]- 379.22409 188.9
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.