CID 6852206

N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C18H19BrN4O4
SMILES
CCOC1=C(C(=CC(=N1)NC(=O)CC2=CC(=C(C=C2OC)Br)OC)N)C#N
InChI
InChI=1S/C18H19BrN4O4/c1-4-27-18-11(9-20)13(21)8-16(23-18)22-17(24)6-10-5-15(26-3)12(19)7-14(10)25-2/h5,7-8H,4,6H2,1-3H3,(H3,21,22,23,24)
InChIKey
GKODDLYLEKSDJL-UHFFFAOYSA-N
Compound name
N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)-2-(4-bromo-2,5-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

434.05896 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.06624 187.5
[M+Na]+ 457.04818 198.6
[M-H]- 433.05168 192.1
[M+NH4]+ 452.09278 197.5
[M+K]+ 473.02212 187.0
[M+H-H2O]+ 417.05622 176.4
[M+HCOO]- 479.05716 205.8
[M+CH3COO]- 493.07281 236.5
[M+Na-2H]- 455.03363 188.3
[M]+ 434.05841 202.5
[M]- 434.05951 202.5
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