CID 9656421

4-(2-((ethylamino)carbothioyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C20H21N3O3S
SMILES
CCNC(=S)N/N=C/C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C20H21N3O3S/c1-3-21-20(27)23-22-14-16-9-11-17(18(13-16)25-2)26-19(24)12-10-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H2,21,23,27)/b12-10+,22-14+
InChIKey
GRPQUUQCKJZJHP-AXBPCONUSA-N
Compound name
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.13037 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13765 191.8
[M+Na]+ 406.11959 201.2
[M+NH4]+ 401.16419 197.4
[M+K]+ 422.09353 192.3
[M-H]- 382.12309 196.1
[M+Na-2H]- 404.10504 198.2
[M]+ 383.12982 194.4
[M]- 383.13092 194.4
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.