CID 25103308

N-[4-(1-cyano-1-methylethyl)-3-(pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C24H23N3O3
SMILES
CC(C)(C#N)C1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC)C3=CN=CC=C3
InChI
InChI=1S/C24H23N3O3/c1-24(2,15-25)20-9-8-18(13-19(20)17-6-5-11-26-14-17)27-23(28)16-7-10-21(29-3)22(12-16)30-4/h5-14H,1-4H3,(H,27,28)
InChIKey
AMOZYIARVZBSIH-UHFFFAOYSA-N
Compound name
N-[4-(2-cyanopropan-2-yl)-3-pyridin-3-ylphenyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

401.17395 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 204.9
[M+Na]+ 424.16317 213.0
[M-H]- 400.16667 210.7
[M+NH4]+ 419.20777 212.2
[M+K]+ 440.13711 206.7
[M+H-H2O]+ 384.17121 187.7
[M+HCOO]- 446.17215 220.8
[M+CH3COO]- 460.18780 234.6
[M+Na-2H]- 422.14862 205.9
[M]+ 401.17340 201.9
[M]- 401.17450 201.9
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