CID 3087309

Carbamic acid, (2-butoxyphenyl)-, 2-(1-piperidinyl)-1-(1-piperidinylmethyl)ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C24H39N3O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3
InChI
InChI=1S/C24H39N3O3/c1-2-3-18-29-23-13-7-6-12-22(23)25-24(28)30-21(19-26-14-8-4-9-15-26)20-27-16-10-5-11-17-27/h6-7,12-13,21H,2-5,8-11,14-20H2,1H3,(H,25,28)
InChIKey
GCROLQGWKKLTMW-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)propan-2-yl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

417.29913 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.30641 207.1
[M+Na]+ 440.28835 214.8
[M+NH4]+ 435.33295 212.3
[M+K]+ 456.26229 207.8
[M-H]- 416.29185 210.8
[M+Na-2H]- 438.27380 211.4
[M]+ 417.29858 208.7
[M]- 417.29968 208.7
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

patents stripe