CID 510262

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

Structural Information

Molecular Formula
C18H16F3N5O3S2
SMILES
C1=CC(=CC=C1CCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C18H16F3N5O3S2/c19-18(20,21)13-5-3-12(4-6-13)15(27)24-17-26-25-16(30-17)23-10-9-11-1-7-14(8-2-11)31(22,28)29/h1-8H,9-10H2,(H,23,25)(H2,22,28,29)(H,24,26,27)
InChIKey
RKAQURRVFFZYSS-UHFFFAOYSA-N
Compound name
N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

471.06467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07195 200.2
[M+Na]+ 494.05389 207.3
[M-H]- 470.05739 202.9
[M+NH4]+ 489.09849 206.6
[M+K]+ 510.02783 199.3
[M+H-H2O]+ 454.06193 189.1
[M+HCOO]- 516.06287 208.7
[M+CH3COO]- 530.07852 233.0
[M+Na-2H]- 492.03934 202.2
[M]+ 471.06412 198.6
[M]- 471.06522 198.6
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.