CID 9574745

2-[[4-[(e)-(carbamothioylhydrazono)methyl]phenyl]carbamoyloxy]acetic acid

Structural Information

Molecular Formula
C11H12N4O4S
SMILES
C1=CC(=CC=C1/C=N/NC(=S)N)NC(=O)OCC(=O)O
InChI
InChI=1S/C11H12N4O4S/c12-10(20)15-13-5-7-1-3-8(4-2-7)14-11(18)19-6-9(16)17/h1-5H,6H2,(H,14,18)(H,16,17)(H3,12,15,20)/b13-5+
InChIKey
VMSBQHZMVBJPMF-WLRTZDKTSA-N
Compound name
2-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]carbamoyloxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.05792 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06520 164.1
[M+Na]+ 319.04714 167.8
[M-H]- 295.05064 166.6
[M+NH4]+ 314.09174 177.5
[M+K]+ 335.02108 165.1
[M+H-H2O]+ 279.05518 155.7
[M+HCOO]- 341.05612 184.1
[M+CH3COO]- 355.07177 207.4
[M+Na-2H]- 317.03259 165.2
[M]+ 296.05737 163.5
[M]- 296.05847 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.