CID 12298137

61085-44-7

Structural Information

Molecular Formula
C15H21N3O3
SMILES
C[C@H]1CN(CC[C@@]1(C(=O)N)NC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C15H21N3O3/c1-11-10-18(14(20)21-2)9-8-15(11,13(16)19)17-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,16,19)/t11-,15+/m0/s1
InChIKey
OUODHLPMXVJDFG-XHDPSFHLSA-N
Compound name
methyl (3S,4R)-4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.165576 168.1
[M+Na]+ 314.147518 172.2
[M-H]- 290.151024 172.3
[M+NH4]+ 309.192123 182.9
[M+K]+ 330.121458 170.2
[M+H-H2O]+ 274.155560 160.0
[M+HCOO]- 336.156501 187.0
[M+CH3COO]- 350.172151 205.2
[M+Na-2H]- 312.132966 170.1
[M]+ 291.15775142 164.0
[M]- 291.15884858 164.0
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.