CID 9612594

477730-02-2

Structural Information

Molecular Formula
C18H17N3O3S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=S)N)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H17N3O3S/c1-23-16-11-14(12-20-21-18(19)25)7-9-15(16)24-17(22)10-8-13-5-3-2-4-6-13/h2-12H,1H3,(H3,19,21,25)/b10-8+,20-12+
InChIKey
IJQNXDWCEMMTHR-NTPQCHGPSA-N
Compound name
[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10634 183.6
[M+Na]+ 378.08828 188.5
[M-H]- 354.09178 190.6
[M+NH4]+ 373.13288 195.9
[M+K]+ 394.06222 183.4
[M+H-H2O]+ 338.09632 174.2
[M+HCOO]- 400.09726 204.4
[M+CH3COO]- 414.11291 219.1
[M+Na-2H]- 376.07373 184.3
[M]+ 355.09851 185.4
[M]- 355.09961 185.4
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.