CID 299414

5-imidazolecarboxylic acid, 1-(9-fluorenyl)-, methyl ester

Structural Information

Molecular Formula
C18H14N2O2
SMILES
COC(=O)C1=CN=CN1C2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C18H14N2O2/c1-22-18(21)16-10-19-11-20(16)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-11,17H,1H3
InChIKey
YKWQQLPCIIFCLH-UHFFFAOYSA-N
Compound name
methyl 3-(9H-fluoren-9-yl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

290.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 167.3
[M+Na]+ 313.09475 177.2
[M-H]- 289.09825 174.3
[M+NH4]+ 308.13935 185.7
[M+K]+ 329.06869 172.3
[M+H-H2O]+ 273.10279 159.2
[M+HCOO]- 335.10373 188.4
[M+CH3COO]- 349.11938 179.7
[M+Na-2H]- 311.08020 169.9
[M]+ 290.10498 170.5
[M]- 290.10608 170.5
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