CID 2760629

N-(4-thioureido-phenyl)-acetamide

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)N
InChI
InChI=1S/C9H11N3OS/c1-6(13)11-7-2-4-8(5-3-7)12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKey
WZUDNCUTQJSKJU-UHFFFAOYSA-N
Compound name
N-[4-(carbamothioylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.06229 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.069566 144.6
[M+Na]+ 232.051508 150.5
[M-H]- 208.055014 147.8
[M+NH4]+ 227.096113 162.6
[M+K]+ 248.025448 147.0
[M+H-H2O]+ 192.059550 137.7
[M+HCOO]- 254.060491 164.5
[M+CH3COO]- 268.076141 191.2
[M+Na-2H]- 230.036956 146.7
[M]+ 209.06174142 142.2
[M]- 209.06283858 142.2
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