CID 3033559

73623-11-7

Structural Information

Molecular Formula
C10H12N2O2S2
SMILES
CNC(=O)OC1=CC=CC(=C1)NC(=S)SC
InChI
InChI=1S/C10H12N2O2S2/c1-11-9(13)14-8-5-3-4-7(6-8)12-10(15)16-2/h3-6H,1-2H3,(H,11,13)(H,12,15)
InChIKey
CURMAQDGEJRZQA-UHFFFAOYSA-N
Compound name
[3-(methylsulfanylcarbothioylamino)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

256.03403 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04131 154.1
[M+Na]+ 279.02325 160.1
[M-H]- 255.02675 157.1
[M+NH4]+ 274.06785 170.9
[M+K]+ 294.99719 155.5
[M+H-H2O]+ 239.03129 147.1
[M+HCOO]- 301.03223 167.4
[M+CH3COO]- 315.04788 195.1
[M+Na-2H]- 277.00870 154.8
[M]+ 256.03348 155.7
[M]- 256.03458 155.7
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

patents stripe