CID 5907878

Nsc680537

Structural Information

Molecular Formula
C15H21NO3S2
SMILES
CCOC(=S)SC/C(=N\OC(C)(C)OC)/C1=CC=CC=C1
InChI
InChI=1S/C15H21NO3S2/c1-5-18-14(20)21-11-13(12-9-7-6-8-10-12)16-19-15(2,3)17-4/h6-10H,5,11H2,1-4H3/b16-13+
InChIKey
OESIXMXWSGUZRI-DTQAZKPQSA-N
Compound name
O-ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09628 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10356 177.0
[M+Na]+ 350.08550 181.4
[M-H]- 326.08900 180.6
[M+NH4]+ 345.13010 191.8
[M+K]+ 366.05944 177.8
[M+H-H2O]+ 310.09354 169.4
[M+HCOO]- 372.09448 188.4
[M+CH3COO]- 386.11013 209.1
[M+Na-2H]- 348.07095 176.9
[M]+ 327.09573 183.7
[M]- 327.09683 183.7
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.