CID 1546295

N-[(2-methyl-5-nitrophenyl)carbamothioyl]acetamide

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C
InChI
InChI=1S/C10H11N3O3S/c1-6-3-4-8(13(15)16)5-9(6)12-10(17)11-7(2)14/h3-5H,1-2H3,(H2,11,12,14,17)
InChIKey
CDPXNPNSPNMGCJ-UHFFFAOYSA-N
Compound name
N-[(2-methyl-5-nitrophenyl)carbamothioyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

253.05211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 151.8
[M+Na]+ 276.04133 157.1
[M-H]- 252.04483 155.4
[M+NH4]+ 271.08593 167.7
[M+K]+ 292.01527 150.0
[M+H-H2O]+ 236.04937 149.3
[M+HCOO]- 298.05031 171.9
[M+CH3COO]- 312.06596 190.8
[M+Na-2H]- 274.02678 154.9
[M]+ 253.05156 149.9
[M]- 253.05266 149.9
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

patents stripe