CID 424879

101976-70-9

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC(C1=CC=CC2=CC=CC=C21)N3C=NC=C3C(=O)OC
InChI
InChI=1S/C17H16N2O2/c1-12(19-11-18-10-16(19)17(20)21-2)14-9-5-7-13-6-3-4-8-15(13)14/h3-12H,1-2H3
InChIKey
SFDBKYHWAKHMSQ-UHFFFAOYSA-N
Compound name
methyl 3-(1-naphthalen-1-ylethyl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.7
[M+Na]+ 303.11042 173.7
[M-H]- 279.11392 170.3
[M+NH4]+ 298.15502 180.6
[M+K]+ 319.08436 169.5
[M+H-H2O]+ 263.11846 155.8
[M+HCOO]- 325.11940 186.0
[M+CH3COO]- 339.13505 176.8
[M+Na-2H]- 301.09587 168.6
[M]+ 280.12065 168.3
[M]- 280.12175 168.3
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.