CID 5344133

Schembl6721011

Structural Information

Molecular Formula
C18H13N3O4S
SMILES
COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)N/N=C/C4=CC=CO4
InChI
InChI=1S/C18H13N3O4S/c1-23-12-4-5-16-11(7-12)8-14(17(22)25-16)15-10-26-18(20-15)21-19-9-13-3-2-6-24-13/h2-10H,1H3,(H,20,21)/b19-9+
InChIKey
RFKMNGQJIAKLDL-DJKKODMXSA-N
Compound name
3-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.06268 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06996 182.6
[M+Na]+ 390.05190 194.5
[M-H]- 366.05540 196.9
[M+NH4]+ 385.09650 196.7
[M+K]+ 406.02584 192.1
[M+H-H2O]+ 350.05994 175.6
[M+HCOO]- 412.06088 206.8
[M+CH3COO]- 426.07653 196.1
[M+Na-2H]- 388.03735 186.9
[M]+ 367.06213 192.8
[M]- 367.06323 192.8
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

patents stripe