CID 9666846

4-(2-((ethylamino)carbothioyl)carbohydrazonoyl)-2-meo-phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C19H21N3O4S
SMILES
CCNC(=S)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)OC
InChI
InChI=1S/C19H21N3O4S/c1-4-20-19(27)22-21-12-13-5-10-16(17(11-13)25-3)26-18(23)14-6-8-15(24-2)9-7-14/h5-12H,4H2,1-3H3,(H2,20,22,27)/b21-12+
InChIKey
KXVWTJJEBOGYDF-CIAFOILYSA-N
Compound name
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.12527 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13255 191.5
[M+Na]+ 410.11449 200.9
[M+NH4]+ 405.15909 196.9
[M+K]+ 426.08843 193.0
[M-H]- 386.11799 195.6
[M+Na-2H]- 408.09994 197.6
[M]+ 387.12472 194.1
[M]- 387.12582 194.1
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.