CID 9607057

4-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C18H19N3O2S/c1-3-19-18(24)21-20-12-14-8-10-15(11-9-14)23-17(22)16-7-5-4-6-13(16)2/h4-12H,3H2,1-2H3,(H2,19,21,24)/b20-12+
InChIKey
VKWDTARLSGRUHY-UDWIEESQSA-N
Compound name
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12708 180.8
[M+Na]+ 364.10902 191.2
[M+NH4]+ 359.15362 187.6
[M+K]+ 380.08296 182.2
[M-H]- 340.11252 186.0
[M+Na-2H]- 362.09447 188.3
[M]+ 341.11925 184.0
[M]- 341.12035 184.0
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.