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]+ 335.196546 181.1
[M+Na]+ 357.178488 184.5
[M-H]- 333.181994 184.8
[M+NH4]+ 352.223093 192.6
[M+K]+ 373.152428 182.1
[M+H-H2O]+ 317.186530 172.0
[M+HCOO]- 379.187471 198.1
[M+CH3COO]- 393.203121 212.8
[M+Na-2H]- 355.163936 179.2
[M]+ 334.18872142 180.2
[M]- 334.18981858 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.