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]+ 391.29552 201.2
[M+Na]+ 413.27746 202.5
[M-H]- 389.28096 204.3
[M+NH4]+ 408.32206 210.9
[M+K]+ 429.25140 198.7
[M+H-H2O]+ 373.28550 191.0
[M+HCOO]- 435.28644 217.7
[M+CH3COO]- 449.30209 225.9
[M+Na-2H]- 411.26291 198.7
[M]+ 390.28769 202.9
[M]- 390.28879 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.