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]+ 378.12708 187.6
[M+Na]+ 400.10902 192.5
[M-H]- 376.11252 195.5
[M+NH4]+ 395.15362 200.3
[M+K]+ 416.08296 186.8
[M+H-H2O]+ 360.11706 178.1
[M+HCOO]- 422.11800 207.5
[M+CH3COO]- 436.13365 224.8
[M+Na-2H]- 398.09447 191.6
[M]+ 377.11925 189.7
[M]- 377.12035 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.