CID 35380

Brn 2785814

Structural Information

Molecular Formula
C19H20ClNO5
SMILES
COC1=CC(=C(C=C1)N(CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C19H20ClNO5/c1-25-15-9-10-16(17(12-15)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
UFDZVKDBCVJSBS-UHFFFAOYSA-N
Compound name
4-(N-(4-chlorobenzoyl)-2,4-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 185.0
[M+Na]+ 400.09222 191.4
[M-H]- 376.09572 191.7
[M+NH4]+ 395.13682 197.4
[M+K]+ 416.06616 188.3
[M+H-H2O]+ 360.10026 177.3
[M+HCOO]- 422.10120 202.7
[M+CH3COO]- 436.11685 219.8
[M+Na-2H]- 398.07767 185.0
[M]+ 377.10245 192.6
[M]- 377.10355 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