CID 388848

Nsc684042

Structural Information

Molecular Formula
C6H9N5OS
SMILES
CC(=NNC1=C(N=NS1)C(=O)N)C
InChI
InChI=1S/C6H9N5OS/c1-3(2)8-10-6-4(5(7)12)9-11-13-6/h10H,1-2H3,(H2,7,12)
InChIKey
NEMSIQLBCCVITC-UHFFFAOYSA-N
Compound name
5-(2-propan-2-ylidenehydrazinyl)thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05278 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06006 140.9
[M+Na]+ 222.04200 148.6
[M-H]- 198.04550 143.5
[M+NH4]+ 217.08660 159.3
[M+K]+ 238.01594 147.0
[M+H-H2O]+ 182.05004 132.9
[M+HCOO]- 244.05098 161.6
[M+CH3COO]- 258.06663 190.7
[M+Na-2H]- 220.02745 142.9
[M]+ 199.05223 141.3
[M]- 199.05333 141.3
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.