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 177.0
[M+Na]+ 342.16756 179.6
[M-H]- 318.17106 182.8
[M+NH4]+ 337.21216 192.3
[M+K]+ 358.14150 178.7
[M+H-H2O]+ 302.17560 170.1
[M+HCOO]- 364.17654 195.6
[M+CH3COO]- 378.19219 208.2
[M+Na-2H]- 340.15301 176.0
[M]+ 319.17779 176.8
[M]- 319.17889 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.