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]+ 335.19655 180.9
[M+Na]+ 357.17849 184.0
[M-H]- 333.18199 184.7
[M+NH4]+ 352.22309 192.3
[M+K]+ 373.15243 182.3
[M+H-H2O]+ 317.18653 172.0
[M+HCOO]- 379.18747 196.8
[M+CH3COO]- 393.20312 213.8
[M+Na-2H]- 355.16394 177.8
[M]+ 334.18872 179.4
[M]- 334.18982 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.