CID 3064165

101976-71-0

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCCN(C)C
InChI
InChI=1S/C16H21N3O2/c1-13(14-7-5-4-6-8-14)19-12-17-11-15(19)16(20)21-10-9-18(2)3/h4-8,11-13H,9-10H2,1-3H3
InChIKey
ZLHIECOWVQYXHB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 3-(1-phenylethyl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 168.8
[M+Na]+ 310.15262 174.2
[M-H]- 286.15612 174.0
[M+NH4]+ 305.19722 183.5
[M+K]+ 326.12656 172.6
[M+H-H2O]+ 270.16066 159.2
[M+HCOO]- 332.16160 190.8
[M+CH3COO]- 346.17725 206.9
[M+Na-2H]- 308.13807 170.0
[M]+ 287.16285 172.1
[M]- 287.16395 172.1
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.