CID 509855

Schembl7481836

Structural Information

Molecular Formula
C15H20ClN5O3S2
SMILES
C1=CC(=CC=C1CCNC2=NN=C(S2)NC(=O)CCCCCl)S(=O)(=O)N
InChI
InChI=1S/C15H20ClN5O3S2/c16-9-2-1-3-13(22)19-15-21-20-14(25-15)18-10-8-11-4-6-12(7-5-11)26(17,23)24/h4-7H,1-3,8-10H2,(H,18,20)(H2,17,23,24)(H,19,21,22)
InChIKey
ITBQTIRXACOCIQ-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.0696 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.07688 191.6
[M+Na]+ 440.05882 197.8
[M-H]- 416.06232 195.0
[M+NH4]+ 435.10342 201.4
[M+K]+ 456.03276 190.3
[M+H-H2O]+ 400.06686 184.0
[M+HCOO]- 462.06780 199.6
[M+CH3COO]- 476.08345 222.8
[M+Na-2H]- 438.04427 192.4
[M]+ 417.06905 196.0
[M]- 417.07015 196.0
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