CID 6510045

104946-79-4

Structural Information

Molecular Formula
C14H19ClN4O2S2
SMILES
CC1=C(C=CC(=C1)Cl)N=CN(C)SN(C)C(=O)O/N=C(/C)\SC
InChI
InChI=1S/C14H19ClN4O2S2/c1-10-8-12(15)6-7-13(10)16-9-18(3)23-19(4)14(20)21-17-11(2)22-5/h6-9H,1-5H3/b16-9?,17-11-
InChIKey
KQDDBDHQIZFHIT-OZMHLDCBSA-N
Compound name
methyl (1Z)-N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07106 186.3
[M+Na]+ 397.05300 191.2
[M-H]- 373.05650 194.4
[M+NH4]+ 392.09760 201.2
[M+K]+ 413.02694 188.0
[M+H-H2O]+ 357.06104 178.1
[M+HCOO]- 419.06198 199.4
[M+CH3COO]- 433.07763 231.3
[M+Na-2H]- 395.03845 185.0
[M]+ 374.06323 195.4
[M]- 374.06433 195.4
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.