CID 16095197

Schembl13138556

Structural Information

Molecular Formula
C19H17N3O2
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC=CC3=C2C=CO3)C#N)C
InChI
InChI=1S/C19H17N3O2/c1-13(2)6-9-24-18-11-15(4-3-14(18)12-20)22-19-16-7-10-23-17(16)5-8-21-19/h3-8,10-11H,9H2,1-2H3,(H,21,22)
InChIKey
LAYFVOIBOOLCER-UHFFFAOYSA-N
Compound name
4-(furo[3,2-c]pyridin-4-ylamino)-2-(3-methylbut-2-enoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.13208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 179.9
[M+Na]+ 342.12130 190.6
[M-H]- 318.12480 184.8
[M+NH4]+ 337.16590 192.2
[M+K]+ 358.09524 184.1
[M+H-H2O]+ 302.12934 164.2
[M+HCOO]- 364.13028 198.7
[M+CH3COO]- 378.14593 189.4
[M+Na-2H]- 340.10675 183.0
[M]+ 319.13153 178.4
[M]- 319.13263 178.4
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