CID 3064162

101976-68-5

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC3CCCN(C3)C
InChI
InChI=1S/C18H23N3O2/c1-14(15-7-4-3-5-8-15)21-13-19-11-17(21)18(22)23-16-9-6-10-20(2)12-16/h3-5,7-8,11,13-14,16H,6,9-10,12H2,1-2H3
InChIKey
MICDDWULTVVSES-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 3-(1-phenylethyl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 175.8
[M+Na]+ 336.16824 187.5
[M+NH4]+ 331.21284 182.3
[M+K]+ 352.14218 183.2
[M-H]- 312.17174 179.0
[M+Na-2H]- 334.15369 182.6
[M]+ 313.17847 178.1
[M]- 313.17957 178.1
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.