CID 50264

Bk-48

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)CN2CCCCC2
InChI
InChI=1S/C22H36N2O3/c1-3-4-5-6-12-17-26-21-14-9-8-13-20(21)23-22(25)27-19(2)18-24-15-10-7-11-16-24/h8-9,13-14,19H,3-7,10-12,15-18H2,1-2H3,(H,23,25)
InChIKey
YXBVVOPGECPZPT-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-yl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 196.8
[M+Na]+ 399.261798 196.3
[M-H]- 375.265304 199.3
[M+NH4]+ 394.306403 206.3
[M+K]+ 415.235738 193.2
[M+H-H2O]+ 359.269840 186.4
[M+HCOO]- 421.270781 212.6
[M+CH3COO]- 435.286431 221.3
[M+Na-2H]- 397.247246 195.1
[M]+ 376.27203142 196.7
[M]- 376.27312858 196.7
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.