CID 380521

Nsc666135

Structural Information

Molecular Formula
C25H16N2O4S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=CO5)C(=O)OC6=CC=CC=C64)N
InChI
InChI=1S/C25H16N2O4S/c26-23-21(24-27-16(13-32-24)14-7-2-1-3-8-14)19(18-11-6-12-29-18)20-22(31-23)15-9-4-5-10-17(15)30-25(20)28/h1-13,19H,26H2
InChIKey
AYMVFKCJJBANOF-UHFFFAOYSA-N
Compound name
2-amino-4-(furan-2-yl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.08307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.09035 201.9
[M+Na]+ 463.07229 214.6
[M-H]- 439.07579 218.9
[M+NH4]+ 458.11689 211.8
[M+K]+ 479.04623 211.5
[M+H-H2O]+ 423.08033 195.3
[M+HCOO]- 485.08127 219.2
[M+CH3COO]- 499.09692 213.7
[M+Na-2H]- 461.05774 203.0
[M]+ 440.08252 209.4
[M]- 440.08362 209.4
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.