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 180.1
[M-H]- 312.17174 180.7
[M+NH4]+ 331.21284 187.1
[M+K]+ 352.14218 176.4
[M+H-H2O]+ 296.17628 164.9
[M+HCOO]- 358.17722 191.2
[M+CH3COO]- 372.19287 205.4
[M+Na-2H]- 334.15369 174.5
[M]+ 313.17847 173.2
[M]- 313.17957 173.2
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.