CID 56965813

1354359-57-1

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2CCCC2
InChI
InChI=1S/C18H25NO4/c1-18(2,3)23-17(22)19(15-6-4-5-7-15)12-13-8-10-14(11-9-13)16(20)21/h8-11,15H,4-7,12H2,1-3H3,(H,20,21)
InChIKey
ZDODNOMMABQISZ-UHFFFAOYSA-N
Compound name
4-[[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 176.2
[M+Na]+ 342.16756 183.2
[M+NH4]+ 337.21216 181.7
[M+K]+ 358.14150 181.7
[M-H]- 318.17106 177.2
[M+Na-2H]- 340.15301 179.6
[M]+ 319.17779 177.0
[M]- 319.17889 177.0
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.