CID 51060813

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

Structural Information

Molecular Formula
C17H16ClN3O2S
SMILES
CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C17H16ClN3O2S/c1-2-19-17(24)21-20-11-12-7-9-13(10-8-12)23-16(22)14-5-3-4-6-15(14)18/h3-11H,2H2,1H3,(H2,19,21,24)/b20-11+
InChIKey
KLWPKCZPGYRJIO-RGVLZGJSSA-N
Compound name
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0652 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.07248 183.2
[M+Na]+ 384.05442 194.5
[M+NH4]+ 379.09902 190.4
[M+K]+ 400.02836 184.9
[M-H]- 360.05792 188.4
[M+Na-2H]- 382.03987 190.8
[M]+ 361.06465 186.8
[M]- 361.06575 186.8
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.