CID 3846891

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

Structural Information

Molecular Formula
C22H17ClN4O2
SMILES
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C(=O)N1CC4=CN=CC=C4
InChI
InChI=1S/C22H17ClN4O2/c1-13-9-18-20(22(28)27(13)12-14-3-2-8-26-11-14)19(17(10-24)21(25)29-18)15-4-6-16(23)7-5-15/h2-9,11,19H,12,25H2,1H3
InChIKey
XPRXAEWFKSLGPO-UHFFFAOYSA-N
Compound name
2-amino-4-(4-chlorophenyl)-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

404.104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11128 200.4
[M+Na]+ 427.09322 217.7
[M+NH4]+ 422.13782 204.4
[M+K]+ 443.06716 205.1
[M-H]- 403.09672 200.6
[M+Na-2H]- 425.07867 205.5
[M]+ 404.10345 202.6
[M]- 404.10455 202.6
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.

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No patent data available for this compound.