CID 3077809

Brn 4275368

Structural Information

Molecular Formula
C24H15ClN2OS
SMILES
COC1=C(C(=C2CSC3=C(C2=N1)C=C(C=C3)Cl)C4=CC=CC5=CC=CC=C54)C#N
InChI
InChI=1S/C24H15ClN2OS/c1-28-24-19(12-26)22(17-8-4-6-14-5-2-3-7-16(14)17)20-13-29-21-10-9-15(25)11-18(21)23(20)27-24/h2-11H,13H2,1H3
InChIKey
IDLJIMOGEUDRJX-UHFFFAOYSA-N
Compound name
9-chloro-2-methoxy-4-naphthalen-1-yl-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.05936 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06664 203.0
[M+Na]+ 437.04858 217.5
[M-H]- 413.05208 209.0
[M+NH4]+ 432.09318 215.3
[M+K]+ 453.02252 204.5
[M+H-H2O]+ 397.05662 188.4
[M+HCOO]- 459.05756 208.5
[M+CH3COO]- 473.07321 211.0
[M+Na-2H]- 435.03403 205.9
[M]+ 414.05881 203.1
[M]- 414.05991 203.1
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.