CID 4652498

109083-75-2

Structural Information

Molecular Formula
C19H17FN2O
SMILES
CC(C)C1=C(N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)C=O
InChI
InChI=1S/C19H17FN2O/c1-13(2)18-17(12-23)22(16-10-8-15(20)9-11-16)19(21-18)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKey
NANFTAXXIDYYNW-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

308.13248 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13976 171.9
[M+Na]+ 331.12170 181.3
[M-H]- 307.12520 178.5
[M+NH4]+ 326.16630 185.8
[M+K]+ 347.09564 175.2
[M+H-H2O]+ 291.12974 161.4
[M+HCOO]- 353.13068 192.4
[M+CH3COO]- 367.14633 183.3
[M+Na-2H]- 329.10715 172.2
[M]+ 308.13193 172.5
[M]- 308.13303 172.5
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