CID 135465434

3-[2-[(2e)-2-[(2-hydroxyphenyl)methylene]hydrazino]thiazol-4-yl]-6-methoxy-chromen-2-one

Structural Information

Molecular Formula
C20H15N3O4S
SMILES
COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)N/N=C/C4=CC=CC=C4O
InChI
InChI=1S/C20H15N3O4S/c1-26-14-6-7-18-13(8-14)9-15(19(25)27-18)16-11-28-20(22-16)23-21-10-12-4-2-3-5-17(12)24/h2-11,24H,1H3,(H,22,23)/b21-10+
InChIKey
BQVFYZWGZFNSDT-UFFVCSGVSA-N
Compound name
3-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

393.07834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08562 189.7
[M+Na]+ 416.06756 200.6
[M-H]- 392.07106 201.4
[M+NH4]+ 411.11216 201.3
[M+K]+ 432.04150 195.6
[M+H-H2O]+ 376.07560 180.7
[M+HCOO]- 438.07654 211.4
[M+CH3COO]- 452.09219 201.3
[M+Na-2H]- 414.05301 194.5
[M]+ 393.07779 197.4
[M]- 393.07889 197.4
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

patents stripe