CID 3087568

Brn 4274818

Structural Information

Molecular Formula
C21H15ClN2O2S
SMILES
COC1=CC=CC=C1C2=C3CSC4=C(C3=NC(=C2C#N)OC)C=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O2S/c1-25-17-6-4-3-5-13(17)19-15(10-23)21(26-2)24-20-14-9-12(22)7-8-18(14)27-11-16(19)20/h3-9H,11H2,1-2H3
InChIKey
DJEGVKQKRUHCKN-UHFFFAOYSA-N
Compound name
9-chloro-2-methoxy-4-(2-methoxyphenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0543 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.06158 186.7
[M+Na]+ 417.04352 203.9
[M+NH4]+ 412.08812 193.2
[M+K]+ 433.01746 189.1
[M-H]- 393.04702 185.5
[M+Na-2H]- 415.02897 192.2
[M]+ 394.05375 189.1
[M]- 394.05485 189.1
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.