CID 510255

Schembl7488673

Structural Information

Molecular Formula
C17H14F2N4OS
SMILES
C1=CC=C(C=C1)CCNC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C17H14F2N4OS/c18-13-8-12(9-14(19)10-13)15(24)21-17-23-22-16(25-17)20-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,20,22)(H,21,23,24)
InChIKey
RNPVNEJWCUWOCA-UHFFFAOYSA-N
Compound name
3,5-difluoro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

360.08563 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09291 177.8
[M+Na]+ 383.07485 186.0
[M-H]- 359.07835 183.0
[M+NH4]+ 378.11945 189.4
[M+K]+ 399.04879 179.0
[M+H-H2O]+ 343.08289 166.5
[M+HCOO]- 405.08383 195.1
[M+CH3COO]- 419.09948 187.6
[M+Na-2H]- 381.06030 178.5
[M]+ 360.08508 177.5
[M]- 360.08618 177.5
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.