CID 3087562

Brn 4274042

Structural Information

Molecular Formula
C23H15ClN2OS
SMILES
C1C2=C(C3=C(S1)C=CC(=C3)Cl)OC(=C(C2C4=CC=CC5=CC=CC=C54)C#N)N
InChI
InChI=1S/C23H15ClN2OS/c24-14-8-9-20-17(10-14)22-19(12-28-20)21(18(11-25)23(26)27-22)16-7-3-5-13-4-1-2-6-15(13)16/h1-10,21H,12,26H2
InChIKey
WPNORPMASGQMFS-UHFFFAOYSA-N
Compound name
2-amino-9-chloro-4-naphthalen-1-yl-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.05936 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06664 200.8
[M+Na]+ 425.04858 214.9
[M-H]- 401.05208 208.2
[M+NH4]+ 420.09318 213.4
[M+K]+ 441.02252 203.0
[M+H-H2O]+ 385.05662 187.6
[M+HCOO]- 447.05756 206.4
[M+CH3COO]- 461.07321 209.1
[M+Na-2H]- 423.03403 203.6
[M]+ 402.05881 198.5
[M]- 402.05991 198.5
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.