CID 3020732

85443-52-3

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CCOC(=O)N1CCC(CC1)NC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H19N3O4/c1-2-21-14(18)16-9-7-11(8-10-16)15-12-5-3-4-6-13(12)17(19)20/h3-6,11,15H,2,7-10H2,1H3
InChIKey
PGPHYMZSYHYGEF-UHFFFAOYSA-N
Compound name
ethyl 4-(2-nitroanilino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

293.13754 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.144816 165.8
[M+Na]+ 316.126758 168.5
[M-H]- 292.130264 170.1
[M+NH4]+ 311.171363 178.0
[M+K]+ 332.100698 162.4
[M+H-H2O]+ 276.134800 161.4
[M+HCOO]- 338.135741 186.2
[M+CH3COO]- 352.151391 196.9
[M+Na-2H]- 314.112206 170.4
[M]+ 293.13699142 161.1
[M]- 293.13808858 161.1
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

patents stripe