CID 35381

Brn 2783449

Structural Information

Molecular Formula
C19H20ClNO5
SMILES
COC1=C(C=C(C=C1)N(CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C19H20ClNO5/c1-25-16-10-9-15(12-17(16)26-2)21(11-3-4-18(22)23)19(24)13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,22,23)
InChIKey
IHCNQNQLZYSDFF-UHFFFAOYSA-N
Compound name
4-(N-(4-chlorobenzoyl)-3,4-dimethoxyanilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.103 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11028 185.4
[M+Na]+ 400.09222 197.6
[M+NH4]+ 395.13682 191.2
[M+K]+ 416.06616 191.8
[M-H]- 376.09572 188.2
[M+Na-2H]- 398.07767 191.5
[M]+ 377.10245 188.0
[M]- 377.10355 188.0
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

patents stripe