CID 6884738

Stk700893

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
COC1=C(C(=C(C=C1)/C=N/NC(=S)N)C(=O)O)OC
InChI
InChI=1S/C11H13N3O4S/c1-17-7-4-3-6(5-13-14-11(12)19)8(10(15)16)9(7)18-2/h3-5H,1-2H3,(H,15,16)(H3,12,14,19)/b13-5+
InChIKey
FEACGOVEAHMHOB-WLRTZDKTSA-N
Compound name
6-[(E)-(carbamothioylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.06268 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 161.3
[M+Na]+ 306.05190 167.5
[M-H]- 282.05540 164.6
[M+NH4]+ 301.09650 176.3
[M+K]+ 322.02584 164.8
[M+H-H2O]+ 266.05994 153.7
[M+HCOO]- 328.06088 181.2
[M+CH3COO]- 342.07653 205.7
[M+Na-2H]- 304.03735 161.5
[M]+ 283.06213 163.8
[M]- 283.06323 163.8
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

No patent data available for this compound.