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 180.1
[M+Na]+ 333.13219 187.3
[M-H]- 309.13569 183.1
[M+NH4]+ 328.17679 190.5
[M+K]+ 349.10613 183.0
[M+H-H2O]+ 293.14023 164.5
[M+HCOO]- 355.14117 197.4
[M+CH3COO]- 369.15682 219.7
[M+Na-2H]- 331.11764 183.1
[M]+ 310.14242 174.1
[M]- 310.14352 174.1
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