CID 76740515

Schembl22639048

Structural Information

Molecular Formula
C19H19NO5S
SMILES
CC(=NOC(=O)C)C(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)OCCO
InChI
InChI=1S/C19H19NO5S/c1-13(20-25-14(2)22)19(23)15-3-7-17(8-4-15)26-18-9-5-16(6-10-18)24-12-11-21/h3-10,21H,11-12H2,1-2H3
InChIKey
MEAGLESDIMAOCW-UHFFFAOYSA-N
Compound name
[[1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-1-oxopropan-2-ylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

373.0984 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10568 187.1
[M+Na]+ 396.08762 191.6
[M-H]- 372.09112 193.2
[M+NH4]+ 391.13222 198.6
[M+K]+ 412.06156 188.5
[M+H-H2O]+ 356.09566 178.2
[M+HCOO]- 418.09660 204.0
[M+CH3COO]- 432.11225 217.0
[M+Na-2H]- 394.07307 186.0
[M]+ 373.09785 193.0
[M]- 373.09895 193.0
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.