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 184.3
[M+Na]+ 377.10762 188.3
[M-H]- 353.11112 192.0
[M+NH4]+ 372.15222 199.1
[M+K]+ 393.08156 186.4
[M+H-H2O]+ 337.11566 174.5
[M+HCOO]- 399.11660 201.3
[M+CH3COO]- 413.13225 230.8
[M+Na-2H]- 375.09307 182.9
[M]+ 354.11785 191.7
[M]- 354.11895 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.