CID 47718

Bk-54

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCC(CC2C)C
InChI
InChI=1S/C23H38N2O3/c1-4-5-6-7-10-16-27-22-12-9-8-11-21(22)24-23(26)28-17-15-25-14-13-19(2)18-20(25)3/h8-9,11-12,19-20H,4-7,10,13-18H2,1-3H3,(H,24,26)
InChIKey
SRDAUPWAYGKKTB-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylpiperidin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.295516 201.2
[M+Na]+ 413.277458 202.5
[M-H]- 389.280964 204.3
[M+NH4]+ 408.322063 210.9
[M+K]+ 429.251398 198.7
[M+H-H2O]+ 373.285500 191.0
[M+HCOO]- 435.286441 217.7
[M+CH3COO]- 449.302091 225.9
[M+Na-2H]- 411.262906 198.7
[M]+ 390.28769142 202.9
[M]- 390.28878858 202.9
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.