CID 173756

R 32767

Structural Information

Molecular Formula
C25H30N2O3
SMILES
COC(=O)C1(CCN(CC1)CCC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C4CC4
InChI
InChI=1S/C25H30N2O3/c1-30-24(29)25(27(23(28)21-12-13-21)22-10-6-3-7-11-22)15-18-26(19-16-25)17-14-20-8-4-2-5-9-20/h2-11,21H,12-19H2,1H3
InChIKey
NFGRCBGXNVMYIM-UHFFFAOYSA-N
Compound name
methyl 4-[N-(cyclopropanecarbonyl)anilino]-1-(2-phenylethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

406.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 198.1
[M+Na]+ 429.21487 200.7
[M-H]- 405.21837 208.9
[M+NH4]+ 424.25947 203.6
[M+K]+ 445.18881 198.1
[M+H-H2O]+ 389.22291 187.7
[M+HCOO]- 451.22385 215.5
[M+CH3COO]- 465.23950 228.0
[M+Na-2H]- 427.20032 198.2
[M]+ 406.22510 198.2
[M]- 406.22620 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe