CID 135537528

Akos000597479

Structural Information

Molecular Formula
C19H13N3O3S
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)N/N=C/C4=CC=CC=C4O
InChI
InChI=1S/C19H13N3O3S/c23-16-7-3-1-6-13(16)10-20-22-19-21-15(11-26-19)14-9-12-5-2-4-8-17(12)25-18(14)24/h1-11,23H,(H,21,22)/b20-10+
InChIKey
QOAGGLBIYQGLIO-KEBDBYFISA-N
Compound name
3-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.06775 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.07503 181.4
[M+Na]+ 386.05697 192.4
[M-H]- 362.06047 193.0
[M+NH4]+ 381.10157 194.2
[M+K]+ 402.03091 186.8
[M+H-H2O]+ 346.06501 172.7
[M+HCOO]- 408.06595 203.4
[M+CH3COO]- 422.08160 193.5
[M+Na-2H]- 384.04242 187.2
[M]+ 363.06720 187.1
[M]- 363.06830 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.