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]+ 355.125676 184.3
[M+Na]+ 377.107618 188.3
[M-H]- 353.111124 192.0
[M+NH4]+ 372.152223 199.1
[M+K]+ 393.081558 186.4
[M+H-H2O]+ 337.115660 174.5
[M+HCOO]- 399.116601 201.3
[M+CH3COO]- 413.132251 230.8
[M+Na-2H]- 375.093066 182.9
[M]+ 354.11785142 191.7
[M]- 354.11894858 191.7
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.