CID 509310

Schembl7482238

Structural Information

Molecular Formula
C16H13Cl2N5O3S2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC2=NN=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)Cl
InChI
InChI=1S/C16H13Cl2N5O3S2/c17-11-2-1-3-12(18)13(11)14(24)21-16-23-22-15(27-16)20-8-9-4-6-10(7-5-9)28(19,25)26/h1-7H,8H2,(H,20,22)(H2,19,25,26)(H,21,23,24)
InChIKey
OAEGGRNZEQUOCI-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

456.98367 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.99095 198.2
[M+Na]+ 479.97289 207.1
[M-H]- 455.97639 205.3
[M+NH4]+ 475.01749 207.1
[M+K]+ 495.94683 198.8
[M+H-H2O]+ 439.98093 191.5
[M+HCOO]- 501.98187 202.5
[M+CH3COO]- 515.99752 228.2
[M+Na-2H]- 477.95834 199.3
[M]+ 456.98312 203.0
[M]- 456.98422 203.0
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