CID 65647

Tolufazepam

Structural Information

Molecular Formula
C24H20Cl2N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C24H20Cl2N2O3S/c1-16-6-9-18(10-7-16)32(30,31)13-12-28-22-11-8-17(25)14-20(22)24(27-15-23(28)29)19-4-2-3-5-21(19)26/h2-11,14H,12-13,15H2,1H3
InChIKey
FFZOBTGTWSRRMB-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-chlorophenyl)-1-[2-(4-methylphenyl)sulfonylethyl]-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

486.05716 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06444 215.0
[M+Na]+ 509.04638 230.7
[M+NH4]+ 504.09098 221.5
[M+K]+ 525.02032 220.2
[M-H]- 485.04988 219.7
[M+Na-2H]- 507.03183 222.7
[M]+ 486.05661 219.9
[M]- 486.05771 219.9
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

patents stripe