CID 3250331

2-amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-6-(3-pyridinylmethyl)-5,6-dihydro-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]+ 431.17138 208.8
[M+Na]+ 453.15332 220.1
[M-H]- 429.15682 214.5
[M+NH4]+ 448.19792 213.7
[M+K]+ 469.12726 213.3
[M+H-H2O]+ 413.16136 190.2
[M+HCOO]- 475.16230 222.5
[M+CH3COO]- 489.17795 215.7
[M+Na-2H]- 451.13877 208.9
[M]+ 430.16355 207.1
[M]- 430.16465 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.