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 193.6
[M+Na]+ 394.12742 204.9
[M-H]- 370.13092 197.5
[M+NH4]+ 389.17202 199.0
[M+K]+ 410.10136 196.5
[M+H-H2O]+ 354.13546 174.7
[M+HCOO]- 416.13640 206.7
[M+CH3COO]- 430.15205 200.7
[M+Na-2H]- 392.11287 196.3
[M]+ 371.13765 188.2
[M]- 371.13875 188.2
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

No patent data available for this compound.