CID 135483965

Nsc609523

Structural Information

Molecular Formula
C20H14ClN3O3S
SMILES
CC1C(=N/C(=N\N=C\C2=CC=C(C=C2)Cl)/S1)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C20H14ClN3O3S/c1-11-17(16-18(25)14-4-2-3-5-15(14)27-19(16)26)23-20(28-11)24-22-10-12-6-8-13(21)9-7-12/h2-11,25H,1H3/b22-10+,24-20+
InChIKey
PFEHTPBUONTSDE-OACWAXTRSA-N
Compound name
3-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-5H-1,3-thiazol-4-yl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.04443 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.05171 197.1
[M+Na]+ 434.03365 208.7
[M-H]- 410.03715 209.6
[M+NH4]+ 429.07825 209.8
[M+K]+ 450.00759 202.4
[M+H-H2O]+ 394.04169 188.9
[M+HCOO]- 456.04263 212.8
[M+CH3COO]- 470.05828 208.5
[M+Na-2H]- 432.01910 198.7
[M]+ 411.04388 204.5
[M]- 411.04498 204.5
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.