CID 135483964

Nsc609522

Structural Information

Molecular Formula
C19H12ClN3O3S
SMILES
C1C(=N/C(=N\N=C\C2=CC=C(C=C2)Cl)/S1)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C19H12ClN3O3S/c20-12-7-5-11(6-8-12)9-21-23-19-22-14(10-27-19)16-17(24)13-3-1-2-4-15(13)26-18(16)25/h1-9,24H,10H2/b21-9+,23-19+
InChIKey
SRJBDQQFADAFDI-PXRKGDIQSA-N
Compound name
3-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5H-1,3-thiazol-4-yl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.02878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.03606 191.8
[M+Na]+ 420.01800 203.0
[M-H]- 396.02150 204.1
[M+NH4]+ 415.06260 204.8
[M+K]+ 435.99194 196.8
[M+H-H2O]+ 380.02604 183.6
[M+HCOO]- 442.02698 207.9
[M+CH3COO]- 456.04263 203.3
[M+Na-2H]- 418.00345 194.6
[M]+ 397.02823 198.4
[M]- 397.02933 198.4
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.