CID 3060629

3-carbethoxy-1-isopropyl-4-piperidyl p-aminobenzoate hydrochloride

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCOC(=O)C1CN(CCC1OC(=O)C2=CC=C(C=C2)N)C(C)C
InChI
InChI=1S/C18H26N2O4/c1-4-23-18(22)15-11-20(12(2)3)10-9-16(15)24-17(21)13-5-7-14(19)8-6-13/h5-8,12,15-16H,4,9-11,19H2,1-3H3
InChIKey
LJJBHUCWAXCYFK-UHFFFAOYSA-N
Compound name
ethyl 4-(4-aminobenzoyl)oxy-1-propan-2-ylpiperidine-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 180.9
[M+Na]+ 357.178488 184.0
[M-H]- 333.181994 184.7
[M+NH4]+ 352.223093 192.3
[M+K]+ 373.152428 182.3
[M+H-H2O]+ 317.186530 172.0
[M+HCOO]- 379.187471 196.8
[M+CH3COO]- 393.203121 213.8
[M+Na-2H]- 355.163936 177.8
[M]+ 334.18872142 179.4
[M]- 334.18981858 179.4
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.