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]+ 307.16524 172.1
[M+Na]+ 329.14718 176.5
[M-H]- 305.15068 176.3
[M+NH4]+ 324.19178 184.8
[M+K]+ 345.12112 174.5
[M+H-H2O]+ 289.15522 163.4
[M+HCOO]- 351.15616 189.8
[M+CH3COO]- 365.17181 206.9
[M+Na-2H]- 327.13263 171.3
[M]+ 306.15741 170.6
[M]- 306.15851 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.