CID 3074357

Methyl 1-(2-(-methylphenylamino)ethyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CCC(=O)N(C1CCN(CC1C(=O)OC)CCN(C)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H33N3O3/c1-4-24(29)28(21-13-9-6-10-14-21)23-15-16-27(19-22(23)25(30)31-3)18-17-26(2)20-11-7-5-8-12-20/h5-14,22-23H,4,15-19H2,1-3H3
InChIKey
HCDUIWSUWHCDFN-UHFFFAOYSA-N
Compound name
methyl 1-[2-(N-methylanilino)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2522 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 205.4
[M+Na]+ 446.24142 205.3
[M-H]- 422.24492 214.2
[M+NH4]+ 441.28602 213.3
[M+K]+ 462.21536 203.4
[M+H-H2O]+ 406.24946 193.3
[M+HCOO]- 468.25040 223.6
[M+CH3COO]- 482.26605 238.2
[M+Na-2H]- 444.22687 203.2
[M]+ 423.25165 205.0
[M]- 423.25275 205.0
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.