CID 337836

Nsc357582

Structural Information

Molecular Formula
C20H15ClN2O3S
SMILES
C1COCCN1C2=C(C(=O)OC3=C2C=CC4=C3SC(=N4)C5=CC=CC=C5)Cl
InChI
InChI=1S/C20H15ClN2O3S/c21-15-16(23-8-10-25-11-9-23)13-6-7-14-18(17(13)26-20(15)24)27-19(22-14)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKey
AOVITBUVVLIHIK-UHFFFAOYSA-N
Compound name
7-chloro-6-morpholin-4-yl-2-phenylpyrano[3,2-g][1,3]benzothiazol-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0492 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.05648 189.5
[M+Na]+ 421.03842 201.6
[M-H]- 397.04192 200.4
[M+NH4]+ 416.08302 200.7
[M+K]+ 437.01236 196.8
[M+H-H2O]+ 381.04646 181.2
[M+HCOO]- 443.04740 197.8
[M+CH3COO]- 457.06305 200.4
[M+Na-2H]- 419.02387 191.7
[M]+ 398.04865 195.8
[M]- 398.04975 195.8
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.