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]+ 311.150246 180.1
[M+Na]+ 333.132188 187.3
[M-H]- 309.135694 183.1
[M+NH4]+ 328.176793 190.5
[M+K]+ 349.106128 183.0
[M+H-H2O]+ 293.140230 164.5
[M+HCOO]- 355.141171 197.4
[M+CH3COO]- 369.156821 219.7
[M+Na-2H]- 331.117636 183.1
[M]+ 310.14242142 174.1
[M]- 310.14351858 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