CID 3773944

2-amino-4-(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
C23H18N4O4
SMILES
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C(=O)N1CC5=CN=CC=C5
InChI
InChI=1S/C23H18N4O4/c1-13-7-19-21(23(28)27(13)11-14-3-2-6-26-10-14)20(16(9-24)22(25)31-19)15-4-5-17-18(8-15)30-12-29-17/h2-8,10,20H,11-12,25H2,1H3
InChIKey
LDLREIMSOMNPEV-UHFFFAOYSA-N
Compound name
2-amino-4-(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

0
References

0
Patents

414.1328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14008 201.8
[M+Na]+ 437.12202 214.2
[M-H]- 413.12552 209.0
[M+NH4]+ 432.16662 207.2
[M+K]+ 453.09596 207.4
[M+H-H2O]+ 397.13006 184.5
[M+HCOO]- 459.13100 213.4
[M+CH3COO]- 473.14665 209.4
[M+Na-2H]- 435.10747 202.6
[M]+ 414.13225 199.3
[M]- 414.13335 199.3
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.