CID 292619

Nsc158490

Structural Information

Molecular Formula
C34H26N2O8
SMILES
C1=CC=C(C=C1)C(=O)N=C2N(C3C(O2)C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6
InChI
InChI=1S/C34H26N2O8/c37-29(22-13-5-1-6-14-22)35-34-36(30(38)23-15-7-2-8-16-23)31-28(44-34)27(43-33(40)25-19-11-4-12-20-25)26(42-31)21-41-32(39)24-17-9-3-10-18-24/h1-20,26-28,31H,21H2
InChIKey
SYIIGXVCTHRWNT-UHFFFAOYSA-N
Compound name
(3-benzoyl-2-benzoylimino-6-benzoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl)methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.16895 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.17623 235.2
[M+Na]+ 613.15817 236.0
[M-H]- 589.16167 252.2
[M+NH4]+ 608.20277 236.2
[M+K]+ 629.13211 236.2
[M+H-H2O]+ 573.16621 224.5
[M+HCOO]- 635.16715 250.4
[M+CH3COO]- 649.18280 241.1
[M+Na-2H]- 611.14362 229.8
[M]+ 590.16840 238.0
[M]- 590.16950 238.0
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.