CID 9574816

Nsc658822

Structural Information

Molecular Formula
C24H17N3O7
SMILES
CC(=O)N=C1N(/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)N1/C=C/4\C(=O)C5=CC=CC=C5OC4=O)C
InChI
InChI=1S/C24H17N3O7/c1-13(28)25-24-26(2)17(9-14-7-8-19-20(10-14)33-12-32-19)22(30)27(24)11-16-21(29)15-5-3-4-6-18(15)34-23(16)31/h3-11H,12H2,1-2H3/b16-11+,17-9+,25-24?
InChIKey
HMFFAKDEDRZZJF-ICBXFSISSA-N
Compound name
N-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-[(E)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.10666 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.11394 208.5
[M+Na]+ 482.09588 216.9
[M-H]- 458.09938 221.1
[M+NH4]+ 477.14048 215.7
[M+K]+ 498.06982 214.7
[M+H-H2O]+ 442.10392 200.8
[M+HCOO]- 504.10486 222.6
[M+CH3COO]- 518.12051 217.7
[M+Na-2H]- 480.08133 204.7
[M]+ 459.10611 211.6
[M]- 459.10721 211.6
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.