CID 86730128

N-(1-(3-amino-2-cyanophenoxy)-2-methylpropan-2-yl)isonicotinamide

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CC(C)(COC1=CC=CC(=C1C#N)N)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C17H18N4O2/c1-17(2,21-16(22)12-6-8-20-9-7-12)11-23-15-5-3-4-14(19)13(15)10-18/h3-9H,11,19H2,1-2H3,(H,21,22)
InChIKey
PENNPOKZUGKZGM-UHFFFAOYSA-N
Compound name
N-[1-(3-amino-2-cyanophenoxy)-2-methylpropan-2-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

310.14297 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 177.7
[M+Na]+ 333.13219 188.0
[M+NH4]+ 328.17679 180.1
[M+K]+ 349.10613 179.2
[M-H]- 309.13569 173.2
[M+Na-2H]- 331.11764 181.5
[M]+ 310.14242 176.9
[M]- 310.14352 176.9
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