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 191.4
[M+Na]+ 410.11449 196.1
[M-H]- 386.11799 199.0
[M+NH4]+ 405.15909 202.9
[M+K]+ 426.08843 192.5
[M+H-H2O]+ 370.12253 181.6
[M+HCOO]- 432.12347 212.5
[M+CH3COO]- 446.13912 226.8
[M+Na-2H]- 408.09994 192.2
[M]+ 387.12472 197.0
[M]- 387.12582 197.0
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.