CID 9569876

Nsc622656

Structural Information

Molecular Formula
C7H12N4S2
SMILES
CC1=NS/C(=N\C(=S)N(C)C)/N1C
InChI
InChI=1S/C7H12N4S2/c1-5-9-13-7(11(5)4)8-6(12)10(2)3/h1-4H3/b8-7-
InChIKey
VACUHIAVXYKCCU-FPLPWBNLSA-N
Compound name
(3Z)-3-(3,4-dimethyl-1,2,4-thiadiazol-5-ylidene)-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05034 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05762 144.7
[M+Na]+ 239.03956 154.7
[M-H]- 215.04306 149.4
[M+NH4]+ 234.08416 164.7
[M+K]+ 255.01350 152.1
[M+H-H2O]+ 199.04760 137.6
[M+HCOO]- 261.04854 160.0
[M+CH3COO]- 275.06419 194.4
[M+Na-2H]- 237.02501 144.0
[M]+ 216.04979 148.8
[M]- 216.05089 148.8
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.