CID 24892823

(2s)-n-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

Structural Information

Molecular Formula
C18H14IN3O3
SMILES
C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)I)O
InChI
InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1
InChIKey
RXSZCFAPSDTELY-SFHVURJKSA-N
Compound name
(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

447.008 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.01528 203.1
[M+Na]+ 469.99722 206.7
[M-H]- 446.00072 201.7
[M+NH4]+ 465.04182 207.7
[M+K]+ 485.97116 205.4
[M+H-H2O]+ 430.00526 184.8
[M+HCOO]- 492.00620 209.7
[M+CH3COO]- 506.02185 237.3
[M+Na-2H]- 467.98267 194.0
[M]+ 447.00745 193.4
[M]- 447.00855 193.4
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