CID 19161

Bumadizone

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)
InChIKey
FLWFHHFTIRLFPV-UHFFFAOYSA-N
Compound name
2-[anilino(phenyl)carbamoyl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

28314
Patents

326.16306 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 179.2
[M+Na]+ 349.15228 188.7
[M+NH4]+ 344.19688 185.1
[M+K]+ 365.12622 183.3
[M-H]- 325.15578 182.7
[M+Na-2H]- 347.13773 185.9
[M]+ 326.16251 181.2
[M]- 326.16361 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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