CID 10291752

177964-68-0

Structural Information

Molecular Formula
C22H26FNO2
SMILES
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/C=O
InChI
InChI=1S/C22H26FNO2/c1-14(2)21-18(7-6-12-25)20(16-8-10-17(23)11-9-16)19(13-26-5)22(24-21)15(3)4/h6-12,14-15H,13H2,1-5H3/b7-6+
InChIKey
HEGITGKZHDOFJZ-VOTSOKGWSA-N
Compound name
(E)-3-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

355.19476 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20204 186.4
[M+Na]+ 378.18398 194.2
[M-H]- 354.18748 190.6
[M+NH4]+ 373.22858 198.6
[M+K]+ 394.15792 188.9
[M+H-H2O]+ 338.19202 176.7
[M+HCOO]- 400.19296 204.5
[M+CH3COO]- 414.20861 220.6
[M+Na-2H]- 376.16943 183.8
[M]+ 355.19421 189.9
[M]- 355.19531 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe