CID 9588140

2-methyl-2-(methylthio)propanal o-((dibutylaminosulfenyl)(methyl)carbamoyl)oxime

Structural Information

Molecular Formula
C15H31N3O2S2
SMILES
CCCCN(CCCC)SN(C)C(=O)O/N=C/C(C)(C)SC
InChI
InChI=1S/C15H31N3O2S2/c1-7-9-11-18(12-10-8-2)22-17(5)14(19)20-16-13-15(3,4)21-6/h13H,7-12H2,1-6H3/b16-13+
InChIKey
SRFAYYLZLXEEJF-DTQAZKPQSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-(dibutylamino)sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.18576 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19304 186.6
[M+Na]+ 372.17498 188.1
[M-H]- 348.17848 188.8
[M+NH4]+ 367.21958 201.1
[M+K]+ 388.14892 186.5
[M+H-H2O]+ 332.18302 177.7
[M+HCOO]- 394.18396 199.1
[M+CH3COO]- 408.19961 227.2
[M+Na-2H]- 370.16043 184.4
[M]+ 349.18521 195.4
[M]- 349.18631 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.