CID 509863

N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C17H14F3N5O3S2
SMILES
C1=CC(=CC=C1CNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C17H14F3N5O3S2/c18-17(19,20)12-5-3-11(4-6-12)14(26)23-16-25-24-15(29-16)22-9-10-1-7-13(8-2-10)30(21,27)28/h1-8H,9H2,(H,22,24)(H2,21,27,28)(H,23,25,26)
InChIKey
GQJGHTPEUZCPOR-UHFFFAOYSA-N
Compound name
N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

457.049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.05628 196.4
[M+Na]+ 480.03822 203.9
[M-H]- 456.04172 199.3
[M+NH4]+ 475.08282 203.4
[M+K]+ 496.01216 196.1
[M+H-H2O]+ 440.04626 185.5
[M+HCOO]- 502.04720 205.2
[M+CH3COO]- 516.06285 230.1
[M+Na-2H]- 478.02367 198.8
[M]+ 457.04845 194.4
[M]- 457.04955 194.4
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