CID 34600

29465-22-3

Structural Information

Molecular Formula
C24H26F3N3S
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3C4=C2C5=CC=CC=C5SC4C(F)(F)F
InChI
InChI=1S/C24H26F3N3S/c1-28-13-15-29(16-14-28)11-6-12-30-19-9-4-2-7-17(19)21-22(30)18-8-3-5-10-20(18)31-23(21)24(25,26)27/h2-5,7-10,23H,6,11-16H2,1H3
InChIKey
CAYCYCLKALAGIC-UHFFFAOYSA-N
Compound name
11-[3-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)-6H-thiochromeno[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17996 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18724 207.3
[M+Na]+ 468.16918 216.0
[M-H]- 444.17268 207.8
[M+NH4]+ 463.21378 218.0
[M+K]+ 484.14312 206.7
[M+H-H2O]+ 428.17722 194.9
[M+HCOO]- 490.17816 210.4
[M+CH3COO]- 504.19381 213.5
[M+Na-2H]- 466.15463 205.8
[M]+ 445.17941 205.0
[M]- 445.18051 205.0
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.