CID 115208

Tifluadom

Structural Information

Molecular Formula
C22H20FN3OS
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CSC=C4
InChI
InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
InChIKey
NPGABYHTDVGGJK-UHFFFAOYSA-N
Compound name
N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

82
References

450
Patents

393.1311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13838 192.4
[M+Na]+ 416.12032 203.6
[M+NH4]+ 411.16492 199.1
[M+K]+ 432.09426 196.6
[M-H]- 392.12382 196.8
[M+Na-2H]- 414.10577 199.5
[M]+ 393.13055 195.7
[M]- 393.13165 195.7
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

patents stripe