CID 3087313

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

Structural Information

Molecular Formula
C26H43N3O3
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)CN3CCCCC3
InChI
InChI=1S/C26H43N3O3/c1-2-3-4-13-20-31-25-15-8-7-14-24(25)27-26(30)32-23(21-28-16-9-5-10-17-28)22-29-18-11-6-12-19-29/h7-8,14-15,23H,2-6,9-13,16-22H2,1H3,(H,27,30)
InChIKey
DHMLFLUIIOQLOJ-UHFFFAOYSA-N
Compound name
1,3-di(piperidin-1-yl)propan-2-yl N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

445.33044 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.33772 213.3
[M+Na]+ 468.31966 209.0
[M-H]- 444.32316 215.9
[M+NH4]+ 463.36426 217.5
[M+K]+ 484.29360 204.9
[M+H-H2O]+ 428.32770 200.3
[M+HCOO]- 490.32864 223.2
[M+CH3COO]- 504.34429 232.7
[M+Na-2H]- 466.30511 209.4
[M]+ 445.32989 207.9
[M]- 445.33099 207.9
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

patents stripe