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

literature stripe

Patent stripe

patents stripe