CID 9625418

4-(2-((ethylamino)carbothioyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C21H19N3O2S
SMILES
CCNC(=S)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H19N3O2S/c1-2-22-21(27)24-23-14-15-10-12-17(13-11-15)26-20(25)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,2H2,1H3,(H2,22,24,27)/b23-14+
InChIKey
NUVHYZBOIAEFEK-OEAKJJBVSA-N
Compound name
[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1198 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.127076 187.6
[M+Na]+ 400.109018 192.5
[M-H]- 376.112524 195.5
[M+NH4]+ 395.153623 200.3
[M+K]+ 416.082958 186.8
[M+H-H2O]+ 360.117060 178.1
[M+HCOO]- 422.118001 207.5
[M+CH3COO]- 436.133651 224.8
[M+Na-2H]- 398.094466 191.6
[M]+ 377.11925142 189.7
[M]- 377.12034858 189.7
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.