CID 4162142

303063-95-8

Structural Information

Molecular Formula
C15H12ClN3O2S
SMILES
C1=CC(=CC=C1C=NNC(=S)N)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClN3O2S/c16-12-5-3-11(4-6-12)14(20)21-13-7-1-10(2-8-13)9-18-19-15(17)22/h1-9H,(H3,17,19,22)
InChIKey
AIELOGHXVAZIHQ-UHFFFAOYSA-N
Compound name
[4-[(carbamothioylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.03387 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.04115 174.2
[M+Na]+ 356.02309 185.7
[M+NH4]+ 351.06769 181.6
[M+K]+ 371.99703 176.7
[M-H]- 332.02659 179.3
[M+Na-2H]- 354.00854 181.9
[M]+ 333.03332 177.8
[M]- 333.03442 177.8
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.