CID 3250331

2-amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4h-pyrano[3,2-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C24H22N4O4
SMILES
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=CC=C3)OC)OC)C(=O)N1CC4=CN=CC=C4
InChI
InChI=1S/C24H22N4O4/c1-14-10-19-21(24(29)28(14)13-15-6-5-9-27-12-15)20(17(11-25)23(26)32-19)16-7-4-8-18(30-2)22(16)31-3/h4-10,12,20H,13,26H2,1-3H3
InChIKey
RMGKAWSSXRHBTI-UHFFFAOYSA-N
Compound name
2-amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-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

430.1641 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.171376 208.8
[M+Na]+ 453.153318 220.1
[M-H]- 429.156824 214.5
[M+NH4]+ 448.197923 213.7
[M+K]+ 469.127258 213.3
[M+H-H2O]+ 413.161360 190.2
[M+HCOO]- 475.162301 222.5
[M+CH3COO]- 489.177951 215.7
[M+Na-2H]- 451.138766 208.9
[M]+ 430.16355142 207.1
[M]- 430.16464858 207.1
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

No patent data available for this compound.