CID 6875562

4-[(e)-(2-carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl acetate

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=S)N)OC
InChI
InChI=1S/C11H13N3O3S/c1-7(15)17-9-4-3-8(5-10(9)16-2)6-13-14-11(12)18/h3-6H,1-2H3,(H3,12,14,18)/b13-6+
InChIKey
NPSRQVVZJVKHTM-AWNIVKPZSA-N
Compound name
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.06775 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 158.9
[M+Na]+ 290.05697 165.1
[M-H]- 266.06047 163.4
[M+NH4]+ 285.10157 175.3
[M+K]+ 306.03091 162.6
[M+H-H2O]+ 250.06501 151.1
[M+HCOO]- 312.06595 180.2
[M+CH3COO]- 326.08160 203.8
[M+Na-2H]- 288.04242 160.0
[M]+ 267.06720 161.4
[M]- 267.06830 161.4
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.