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

literature stripe

Patent stripe

patents stripe