CID 135746680

61326-37-2

Structural Information

Molecular Formula
C24H22F4N4S
SMILES
CCC1=CC2=C(S1)NC3=C(C=C(C=C3)F)N=C2N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C24H22F4N4S/c1-2-18-14-19-22(29-21-13-16(25)6-7-20(21)30-23(19)33-18)32-10-8-31(9-11-32)17-5-3-4-15(12-17)24(26,27)28/h3-7,12-14,30H,2,8-11H2,1H3
InChIKey
RARVKBCNOWDWLW-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.15012 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.15740 199.6
[M+Na]+ 497.13934 207.4
[M+NH4]+ 492.18394 203.2
[M+K]+ 513.11328 202.1
[M-H]- 473.14284 198.2
[M+Na-2H]- 495.12479 202.4
[M]+ 474.14957 200.5
[M]- 474.15067 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.