CID 3060639

78219-29-1

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCCN1CCC(C(C1)C(=O)OCC)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H26N2O4/c1-3-10-20-11-9-16(15(12-20)18(22)23-4-2)24-17(21)13-5-7-14(19)8-6-13/h5-8,15-16H,3-4,9-12,19H2,1-2H3
InChIKey
QEKRACRHEABGAK-UHFFFAOYSA-N
Compound name
ethyl 4-(4-aminobenzoyl)oxy-1-propylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 181.1
[M+Na]+ 357.17849 184.5
[M-H]- 333.18199 184.8
[M+NH4]+ 352.22309 192.6
[M+K]+ 373.15243 182.1
[M+H-H2O]+ 317.18653 172.0
[M+HCOO]- 379.18747 198.1
[M+CH3COO]- 393.20312 212.8
[M+Na-2H]- 355.16394 179.2
[M]+ 334.18872 180.2
[M]- 334.18982 180.2
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.