CID 24843441

Brn 4542742

Structural Information

Molecular Formula
C20H25NO3S
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N\OC(C)(C)C(=O)OCC)/C
InChI
InChI=1S/C20H25NO3S/c1-6-15-8-10-16(11-9-15)18-13-12-17(25-18)14(3)21-24-20(4,5)19(22)23-7-2/h8-13H,6-7H2,1-5H3/b21-14-
InChIKey
FXUAWVDAKHKOGF-STZFKDTASA-N
Compound name
ethyl 2-[(Z)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15552 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16280 189.5
[M+Na]+ 382.14474 195.2
[M-H]- 358.14824 197.5
[M+NH4]+ 377.18934 205.0
[M+K]+ 398.11868 192.1
[M+H-H2O]+ 342.15278 182.0
[M+HCOO]- 404.15372 207.4
[M+CH3COO]- 418.16937 218.2
[M+Na-2H]- 380.13019 187.6
[M]+ 359.15497 196.7
[M]- 359.15607 196.7
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.