CID 35382

Butyric acid, 4-(o-chloro-n-2,6-xylylbenzamido)-

Structural Information

Molecular Formula
C19H20ClNO3
SMILES
CC1=C(C(=CC=C1)C)N(CCCC(=O)O)C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H20ClNO3/c1-13-7-5-8-14(2)18(13)21(12-6-11-17(22)23)19(24)15-9-3-4-10-16(15)20/h3-5,7-10H,6,11-12H2,1-2H3,(H,22,23)
InChIKey
QTSWHDYFLYGYLQ-UHFFFAOYSA-N
Compound name
4-(N-(2-chlorobenzoyl)-2,6-dimethylanilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.11316 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12044 180.4
[M+Na]+ 368.10238 193.6
[M+NH4]+ 363.14698 187.4
[M+K]+ 384.07632 186.6
[M-H]- 344.10588 184.2
[M+Na-2H]- 366.08783 187.3
[M]+ 345.11261 183.6
[M]- 345.11371 183.6
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