CID 13300503

Bpat-163

Structural Information

Molecular Formula
C28H54N4O2
SMILES
CCCCCCN1CCCC(C1)C(=O)N(C)CCN(C)C(=O)C2CCCN(C2)CCCCCC
InChI
InChI=1S/C28H54N4O2/c1-5-7-9-11-17-31-19-13-15-25(23-31)27(33)29(3)21-22-30(4)28(34)26-16-14-20-32(24-26)18-12-10-8-6-2/h25-26H,5-24H2,1-4H3
InChIKey
KFBPBPGFFYKINL-UHFFFAOYSA-N
Compound name
1-hexyl-N-[2-[(1-hexylpiperidine-3-carbonyl)-methylamino]ethyl]-N-methylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

478.42468 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.43196 228.8
[M+Na]+ 501.41390 223.6
[M-H]- 477.41740 230.8
[M+NH4]+ 496.45850 233.7
[M+K]+ 517.38784 221.3
[M+H-H2O]+ 461.42194 216.7
[M+HCOO]- 523.42288 238.9
[M+CH3COO]- 537.43853 252.7
[M+Na-2H]- 499.39935 219.8
[M]+ 478.42413 227.2
[M]- 478.42523 227.2
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

patents stripe