CID 607526

2-cyclohexaneamido-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C16H21NO5
SMILES
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2CCCCC2)OC
InChI
InChI=1S/C16H21NO5/c1-21-13-8-11(16(19)20)12(9-14(13)22-2)17-15(18)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKey
XYSSUPGLCRPMQV-UHFFFAOYSA-N
Compound name
2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 170.7
[M+Na]+ 330.13119 179.7
[M+NH4]+ 325.17579 176.2
[M+K]+ 346.10513 175.6
[M-H]- 306.13469 172.5
[M+Na-2H]- 328.11664 174.5
[M]+ 307.14142 172.0
[M]- 307.14252 172.0
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

No patent data available for this compound.