CID 509418

Schembl7481682

Structural Information

Molecular Formula
C17H15Cl2N5O3S2
SMILES
C1=CC(=CC=C1CCNC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C17H15Cl2N5O3S2/c18-13-6-3-11(9-14(13)19)15(25)22-17-24-23-16(28-17)21-8-7-10-1-4-12(5-2-10)29(20,26)27/h1-6,9H,7-8H2,(H,21,23)(H2,20,26,27)(H,22,24,25)
InChIKey
DDTDTCIYMOFQJX-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

470.99933 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.00661 202.0
[M+Na]+ 493.98855 210.5
[M-H]- 469.99205 208.9
[M+NH4]+ 489.03315 210.3
[M+K]+ 509.96249 202.0
[M+H-H2O]+ 453.99659 195.1
[M+HCOO]- 515.99753 206.0
[M+CH3COO]- 530.01318 230.9
[M+Na-2H]- 491.97400 202.7
[M]+ 470.99878 207.1
[M]- 470.99988 207.1
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.