CID 3768542

612054-24-7

Structural Information

Molecular Formula
C24H20ClN3O2
SMILES
CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)N1CCC4=CC=CC=C4
InChI
InChI=1S/C24H20ClN3O2/c1-15-13-20-22(24(29)28(15)12-11-16-7-3-2-4-8-16)21(18(14-26)23(27)30-20)17-9-5-6-10-19(17)25/h2-10,13,21H,11-12,27H2,1H3
InChIKey
UWCLWDISUYEPTA-UHFFFAOYSA-N
Compound name
2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1244 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13168 204.2
[M+Na]+ 440.11362 221.3
[M+NH4]+ 435.15822 208.7
[M+K]+ 456.08756 208.0
[M-H]- 416.11712 205.0
[M+Na-2H]- 438.09907 209.3
[M]+ 417.12385 206.6
[M]- 417.12495 206.6
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.

Patent stripe

No patent data available for this compound.