CID 4246602

6-(4-(4'-cyanophenyl)phenoxy)hexyl methacrylate

Structural Information

Molecular Formula
C23H25NO3
SMILES
CC(=C)C(=O)OCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C23H25NO3/c1-18(2)23(25)27-16-6-4-3-5-15-26-22-13-11-21(12-14-22)20-9-7-19(17-24)8-10-20/h7-14H,1,3-6,15-16H2,2H3
InChIKey
JJJGWRPDCQICFP-UHFFFAOYSA-N
Compound name
6-[4-(4-cyanophenyl)phenoxy]hexyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

363.18344 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 192.1
[M+Na]+ 386.17266 199.1
[M-H]- 362.17616 196.3
[M+NH4]+ 381.21726 202.8
[M+K]+ 402.14660 192.7
[M+H-H2O]+ 346.18070 176.8
[M+HCOO]- 408.18164 208.9
[M+CH3COO]- 422.19729 226.2
[M+Na-2H]- 384.15811 191.0
[M]+ 363.18289 190.7
[M]- 363.18399 190.7
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