CID 135409113

Nsc658343

Structural Information

Molecular Formula
C19H12N2O3S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)/N=C/C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C19H12N2O3S/c22-17-13-8-4-5-9-16(13)24-18(23)14(17)10-20-19-21-15(11-25-19)12-6-2-1-3-7-12/h1-11,22H/b20-10+
InChIKey
RNNLXWJXULBGCS-KEBDBYFISA-N
Compound name
4-hydroxy-3-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.05685 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06413 178.8
[M+Na]+ 371.04607 190.9
[M-H]- 347.04957 190.6
[M+NH4]+ 366.09067 192.6
[M+K]+ 387.02001 185.3
[M+H-H2O]+ 331.05411 170.5
[M+HCOO]- 393.05505 199.9
[M+CH3COO]- 407.07070 191.5
[M+Na-2H]- 369.03152 183.6
[M]+ 348.05630 185.1
[M]- 348.05740 185.1
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