CID 5311257

176977-56-3

Structural Information

Molecular Formula
C24H17NO4
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(O2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C24H17NO4/c1-27-18-9-7-17(8-10-18)24-22(20-12-11-19(28-2)13-21(20)29-24)23(26)16-5-3-15(14-25)4-6-16/h3-13H,1-2H3
InChIKey
RYNSGDFWBJWWSZ-UHFFFAOYSA-N
Compound name
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

117
Patents

383.11575 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.12303 198.4
[M+Na]+ 406.10497 211.0
[M-H]- 382.10847 207.7
[M+NH4]+ 401.14957 209.7
[M+K]+ 422.07891 203.4
[M+H-H2O]+ 366.11301 182.9
[M+HCOO]- 428.11395 217.3
[M+CH3COO]- 442.12960 208.1
[M+Na-2H]- 404.09042 199.1
[M]+ 383.11520 199.4
[M]- 383.11630 199.4
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