CID 394897

Nsc698989

Structural Information

Molecular Formula
C13H18N4O3S2
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)N
InChI
InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)
InChIKey
NBKDQESIWDNDOT-UHFFFAOYSA-N
Compound name
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

21
Patents

342.08203 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08931 167.2
[M+Na]+ 365.07125 169.7
[M-H]- 341.07475 160.9
[M+NH4]+ 360.11585 186.2
[M+K]+ 381.04519 168.0
[M+H-H2O]+ 325.07929 163.7
[M+HCOO]- 387.08023 164.6
[M+CH3COO]- 401.09588 173.5
[M+Na-2H]- 363.05670 179.3
[M]+ 342.08148 171.6
[M]- 342.08258 171.6
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.