CID 70567

1027-91-4

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCNC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C15H23N3O/c1-2-17-15(14(16)19)8-10-18(11-9-15)12-13-6-4-3-5-7-13/h3-7,17H,2,8-12H2,1H3,(H2,16,19)
InChIKey
LPPPBYXGXSHYQJ-UHFFFAOYSA-N
Compound name
1-benzyl-4-(ethylamino)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

70
Patents

261.1841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 162.7
[M+Na]+ 284.17332 165.9
[M-H]- 260.17682 166.3
[M+NH4]+ 279.21792 178.6
[M+K]+ 300.14726 162.6
[M+H-H2O]+ 244.18136 154.3
[M+HCOO]- 306.18230 182.0
[M+CH3COO]- 320.19795 200.7
[M+Na-2H]- 282.15877 166.3
[M]+ 261.18355 156.7
[M]- 261.18465 156.7
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