CID 3846891

2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-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]+ 405.111276 202.1
[M+Na]+ 427.093218 215.1
[M-H]- 403.096724 207.5
[M+NH4]+ 422.137823 209.0
[M+K]+ 443.067158 205.5
[M+H-H2O]+ 387.101260 184.7
[M+HCOO]- 449.102201 212.3
[M+CH3COO]- 463.117851 209.6
[M+Na-2H]- 425.078666 203.2
[M]+ 404.10345142 199.4
[M]- 404.10454858 199.4
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.