CID 1546295

72621-59-1

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

19
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 152.2
[M+Na]+ 276.04133 161.8
[M+NH4]+ 271.08593 158.8
[M+K]+ 292.01527 158.3
[M-H]- 252.04483 155.1
[M+Na-2H]- 274.02678 156.5
[M]+ 253.05156 154.4
[M]- 253.05266 154.4
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

patents stripe