CID 9574814

Nsc658815

Structural Information

Molecular Formula
C21H15N3O6
SMILES
CC(=O)N=C1N(/C(=C/C2=CC=CO2)/C(=O)N1/C=C/3\C(=O)C4=CC=CC=C4OC3=O)C
InChI
InChI=1S/C21H15N3O6/c1-12(25)22-21-23(2)16(10-13-6-5-9-29-13)19(27)24(21)11-15-18(26)14-7-3-4-8-17(14)30-20(15)28/h3-11H,1-2H3/b15-11+,16-10+,22-21?
InChIKey
LNTKHUDHTPXILC-DLAJEMADSA-N
Compound name
N-[(4E)-1-[(E)-(2,4-dioxochromen-3-ylidene)methyl]-4-(furan-2-ylmethylidene)-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.0961 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10338 194.3
[M+Na]+ 428.08532 203.1
[M-H]- 404.08882 205.8
[M+NH4]+ 423.12992 204.4
[M+K]+ 444.05926 200.1
[M+H-H2O]+ 388.09336 186.6
[M+HCOO]- 450.09430 212.3
[M+CH3COO]- 464.10995 226.5
[M+Na-2H]- 426.07077 191.0
[M]+ 405.09555 196.8
[M]- 405.09665 196.8
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.