CID 4751699

2-amino-7-methyl-5-oxo-4-(3-pyridinyl)-6-(3-pyridinylmethyl)-5,6-dihydro-4h-pyrano[3,2-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C21H17N5O2
SMILES
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)N1CC4=CN=CC=C4
InChI
InChI=1S/C21H17N5O2/c1-13-8-17-19(21(27)26(13)12-14-4-2-6-24-10-14)18(15-5-3-7-25-11-15)16(9-22)20(23)28-17/h2-8,10-11,18H,12,23H2,1H3
InChIKey
PPNKKJJZRKHOEU-UHFFFAOYSA-N
Compound name
2-amino-7-methyl-5-oxo-4-pyridin-3-yl-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1382 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14548 195.8
[M+Na]+ 394.12742 211.9
[M+NH4]+ 389.17202 198.9
[M+K]+ 410.10136 200.4
[M-H]- 370.13092 195.1
[M+Na-2H]- 392.11287 200.8
[M]+ 371.13765 197.2
[M]- 371.13875 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.