CID 3060633

78219-26-8

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CCOC(=O)C1CN(CCC1OC(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C16H22N2O4/c1-3-21-16(20)13-10-18(2)9-8-14(13)22-15(19)11-4-6-12(17)7-5-11/h4-7,13-14H,3,8-10,17H2,1-2H3
InChIKey
AMWTXHSISWGTSU-UHFFFAOYSA-N
Compound name
ethyl 4-(4-aminobenzoyl)oxy-1-methylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 172.1
[M+Na]+ 329.147178 176.5
[M-H]- 305.150684 176.3
[M+NH4]+ 324.191783 184.8
[M+K]+ 345.121118 174.5
[M+H-H2O]+ 289.155220 163.4
[M+HCOO]- 351.156161 189.8
[M+CH3COO]- 365.171811 206.9
[M+Na-2H]- 327.132626 171.3
[M]+ 306.15741142 170.6
[M]- 306.15850858 170.6
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.