CID 9588139

2-methyl-2-(methylthio)propanol o-((n-benzyl-n-methylaminosulfenyl)(methyl)carbamoyl)oxime

Structural Information

Molecular Formula
C15H23N3O2S2
SMILES
CC(C)(/C=N/OC(=O)N(C)SN(C)CC1=CC=CC=C1)SC
InChI
InChI=1S/C15H23N3O2S2/c1-15(2,21-5)12-16-20-14(19)18(4)22-17(3)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b16-12+
InChIKey
KEYASAHFHBOCTN-FOWTUZBSSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-[benzyl(methyl)amino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.12317 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13045 181.3
[M+Na]+ 364.11239 184.5
[M-H]- 340.11589 187.2
[M+NH4]+ 359.15699 195.9
[M+K]+ 380.08633 182.3
[M+H-H2O]+ 324.12043 172.2
[M+HCOO]- 386.12137 195.8
[M+CH3COO]- 400.13702 222.7
[M+Na-2H]- 362.09784 182.1
[M]+ 341.12262 187.9
[M]- 341.12372 187.9
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.