CID 66671586

1246247-72-2

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC1=CC(=CC(=C1CN(C)C(=O)OC(C)(C)C)C)C(=O)O
InChI
InChI=1S/C16H23NO4/c1-10-7-12(14(18)19)8-11(2)13(10)9-17(6)15(20)21-16(3,4)5/h7-8H,9H2,1-6H3,(H,18,19)
InChIKey
JMUMAYPAXKMJPU-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

293.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.1
[M+Na]+ 316.15194 178.3
[M+NH4]+ 311.19654 174.2
[M+K]+ 332.12588 175.3
[M-H]- 292.15544 168.8
[M+Na-2H]- 314.13739 171.9
[M]+ 293.16217 170.1
[M]- 293.16327 170.1
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