CID 3448030

2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(3-pyridinylmethyl)-5,6-dihydro-4h-pyrano[3,2-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C23H17BrN4O4
SMILES
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Br)OCO4)C(=O)N1CC5=CN=CC=C5
InChI
InChI=1S/C23H17BrN4O4/c1-12-5-19-21(23(29)28(12)10-13-3-2-4-27-9-13)20(15(8-25)22(26)32-19)14-6-17-18(7-16(14)24)31-11-30-17/h2-7,9,20H,10-11,26H2,1H3
InChIKey
CCROLHFXHJZDHG-UHFFFAOYSA-N
Compound name
2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-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

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References

0
Patents

492.04333 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.05061 215.4
[M+Na]+ 515.03255 221.8
[M+NH4]+ 510.07715 215.7
[M+K]+ 531.00649 218.4
[M-H]- 491.03605 215.5
[M+Na-2H]- 513.01800 213.5
[M]+ 492.04278 214.9
[M]- 492.04388 214.9
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.