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 207.8
[M+Na]+ 440.11362 220.5
[M-H]- 416.11712 214.5
[M+NH4]+ 435.15822 215.6
[M+K]+ 456.08756 210.3
[M+H-H2O]+ 400.12166 191.2
[M+HCOO]- 462.12260 218.8
[M+CH3COO]- 476.13825 215.3
[M+Na-2H]- 438.09907 207.9
[M]+ 417.12385 205.4
[M]- 417.12495 205.4
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.