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

6
Patents

377.103 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.110276 185.0
[M+Na]+ 400.092218 191.4
[M-H]- 376.095724 191.7
[M+NH4]+ 395.136823 197.4
[M+K]+ 416.066158 188.3
[M+H-H2O]+ 360.100260 177.3
[M+HCOO]- 422.101201 202.7
[M+CH3COO]- 436.116851 219.8
[M+Na-2H]- 398.077666 185.0
[M]+ 377.10245142 192.6
[M]- 377.10354858 192.6
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