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]+ 320.185616 177.0
[M+Na]+ 342.167558 179.6
[M-H]- 318.171064 182.8
[M+NH4]+ 337.212163 192.3
[M+K]+ 358.141498 178.7
[M+H-H2O]+ 302.175600 170.1
[M+HCOO]- 364.176541 195.6
[M+CH3COO]- 378.192191 208.2
[M+Na-2H]- 340.153006 176.0
[M]+ 319.17779142 176.8
[M]- 319.17888858 176.8
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.