CID 24843450

Brn 4530832

Structural Information

Molecular Formula
C19H23NO3S
SMILES
CCOC(=O)C(C)(C)O/N=C(/C)\C1=CC=C(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H23NO3S/c1-6-22-18(21)19(4,5)23-20-14(3)16-11-12-17(24-16)15-9-7-13(2)8-10-15/h7-12H,6H2,1-5H3/b20-14-
InChIKey
KTPCFXOEJSARPM-ZHZULCJRSA-N
Compound name
ethyl 2-methyl-2-[(Z)-1-[5-(4-methylphenyl)thiophen-2-yl]ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.13986 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14714 185.0
[M+Na]+ 368.12908 191.1
[M-H]- 344.13258 193.2
[M+NH4]+ 363.17368 201.1
[M+K]+ 384.10302 188.3
[M+H-H2O]+ 328.13712 177.6
[M+HCOO]- 390.13806 203.3
[M+CH3COO]- 404.15371 215.3
[M+Na-2H]- 366.11453 183.6
[M]+ 345.13931 191.9
[M]- 345.14041 191.9
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.