CID 6510046

104946-80-7

Structural Information

Molecular Formula
C15H22N4O2S2
SMILES
CC1=CC(=C(C=C1)N=CN(C)SN(C)C(=O)O/N=C(/C)\SC)C
InChI
InChI=1S/C15H22N4O2S2/c1-11-7-8-14(12(2)9-11)16-10-18(4)23-19(5)15(20)21-17-13(3)22-6/h7-10H,1-6H3/b16-10?,17-13-
InChIKey
WCZZAEFYGANUSO-LSGDEUTGSA-N
Compound name
methyl (1Z)-N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12568 183.0
[M+Na]+ 377.10762 189.5
[M+NH4]+ 372.15222 189.3
[M+K]+ 393.08156 181.3
[M-H]- 353.11112 186.6
[M+Na-2H]- 375.09307 187.1
[M]+ 354.11785 185.5
[M]- 354.11895 185.5
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.