CID 1279942

302909-01-9

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NNC(=S)N
InChI
InChI=1S/C15H13N3O2S/c16-15(21)18-17-10-11-6-8-13(9-7-11)20-14(19)12-4-2-1-3-5-12/h1-10H,(H3,16,18,21)
InChIKey
AFHBVRICOZFQRK-UHFFFAOYSA-N
Compound name
[4-[(carbamothioylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07285 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 167.2
[M+Na]+ 322.06207 177.5
[M+NH4]+ 317.10667 174.4
[M+K]+ 338.03601 169.3
[M-H]- 298.06557 172.3
[M+Na-2H]- 320.04752 175.2
[M]+ 299.07230 170.3
[M]- 299.07340 170.3
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.