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 202.1
[M+Na]+ 427.09322 215.1
[M-H]- 403.09672 207.5
[M+NH4]+ 422.13782 209.0
[M+K]+ 443.06716 205.5
[M+H-H2O]+ 387.10126 184.7
[M+HCOO]- 449.10220 212.3
[M+CH3COO]- 463.11785 209.6
[M+Na-2H]- 425.07867 203.2
[M]+ 404.10345 199.4
[M]- 404.10455 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.