CID 354533

Nsc606537

Structural Information

Molecular Formula
C32H24N4O7
SMILES
C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CN4C3=C(C=N4)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI
InChI=1S/C32H24N4O7/c33-18-24-19-34-36-17-16-35(28(24)36)29-27(43-32(39)23-14-8-3-9-15-23)26(42-31(38)22-12-6-2-7-13-22)25(41-29)20-40-30(37)21-10-4-1-5-11-21/h1-17,19,25-27,29H,20H2
InChIKey
UAJUKYWXZLZMBD-UHFFFAOYSA-N
Compound name
[3,4-dibenzoyloxy-5-(7-cyanoimidazo[1,2-b]pyrazol-1-yl)oxolan-2-yl]methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.1645 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.17178 230.9
[M+Na]+ 599.15372 237.5
[M-H]- 575.15722 240.4
[M+NH4]+ 594.19832 232.0
[M+K]+ 615.12766 230.7
[M+H-H2O]+ 559.16176 212.9
[M+HCOO]- 621.16270 242.7
[M+CH3COO]- 635.17835 235.3
[M+Na-2H]- 597.13917 223.2
[M]+ 576.16395 230.2
[M]- 576.16505 230.2
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.