CID 70573

1031-36-3

Structural Information

Molecular Formula
C16H25N3O
SMILES
CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C16H25N3O/c1-13(2)18-16(15(17)20)8-10-19(11-9-16)12-14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3,(H2,17,20)
InChIKey
MSWWMXGLWBQMNG-UHFFFAOYSA-N
Compound name
1-benzyl-4-(propan-2-ylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

19
Patents

275.19977 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.207046 167.5
[M+Na]+ 298.188988 170.1
[M-H]- 274.192494 171.1
[M+NH4]+ 293.233593 182.8
[M+K]+ 314.162928 167.1
[M+H-H2O]+ 258.197030 159.2
[M+HCOO]- 320.197971 185.4
[M+CH3COO]- 334.213621 204.6
[M+Na-2H]- 296.174436 169.4
[M]+ 275.19922142 161.3
[M]- 275.20031858 161.3
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