CID 498298

Nsc622645

Structural Information

Molecular Formula
C8H15N4S3
SMILES
CN=C(N(C)C1=NC(=[N+](C)C)SS1)SC
InChI
InChI=1S/C8H15N4S3/c1-9-6(13-5)12(4)8-10-7(11(2)3)14-15-8/h1-5H3/q+1
InChIKey
GRVPIGCDHPDMNC-UHFFFAOYSA-N
Compound name
dimethyl-[5-[methyl-(N-methyl-C-methylsulfanylcarbonimidoyl)amino]-1,2,4-dithiazol-3-ylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0459 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05318 150.4
[M+Na]+ 286.03512 157.6
[M-H]- 262.03862 156.1
[M+NH4]+ 281.07972 168.7
[M+K]+ 302.00906 148.8
[M+H-H2O]+ 246.04316 145.1
[M+HCOO]- 308.04410 160.8
[M+CH3COO]- 322.05975 199.4
[M+Na-2H]- 284.02057 152.0
[M]+ 263.04535 151.3
[M]- 263.04645 151.3
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.