CID 491455

1-(2',4'-dimethoxyphenyl)-3-(2-napthyl)-1,1-dicyane-methyl-1-propanone

Structural Information

Molecular Formula
C24H20N2O3
SMILES
COC1=CC(=C(C=C1)C(=O)CC(C2=CC3=CC=CC=C3C=C2)C(C#N)C#N)OC
InChI
InChI=1S/C24H20N2O3/c1-28-20-9-10-21(24(12-20)29-2)23(27)13-22(19(14-25)15-26)18-8-7-16-5-3-4-6-17(16)11-18/h3-12,19,22H,13H2,1-2H3
InChIKey
OJSGIYGCQDESDQ-UHFFFAOYSA-N
Compound name
2-[3-(2,4-dimethoxyphenyl)-1-naphthalen-2-yl-3-oxopropyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1474 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15468 200.8
[M+Na]+ 407.13662 210.0
[M-H]- 383.14012 204.6
[M+NH4]+ 402.18122 208.3
[M+K]+ 423.11056 201.5
[M+H-H2O]+ 367.14466 183.7
[M+HCOO]- 429.14560 209.6
[M+CH3COO]- 443.16125 240.8
[M+Na-2H]- 405.12207 198.2
[M]+ 384.14685 194.3
[M]- 384.14795 194.3
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

No patent data available for this compound.