CID 393919

Nsc696892

Structural Information

Molecular Formula
C23H21N3O6
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(=N)C(C3CC(=O)C4=CC=C(C=C4)N)C(=O)N)OC
InChI
InChI=1S/C23H21N3O6/c1-10-7-15(28)20-17(31-10)9-16-18(21(20)30-2)13(19(22(25)29)23(26)32-16)8-14(27)11-3-5-12(24)6-4-11/h3-7,9,13,19,26H,8,24H2,1-2H3,(H2,25,29)
InChIKey
VRWBXMASPWFWQD-UHFFFAOYSA-N
Compound name
4-[2-(4-aminophenyl)-2-oxoethyl]-2-imino-5-methoxy-8-methyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.14304 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.15032 207.2
[M+Na]+ 458.13226 214.6
[M-H]- 434.13576 216.4
[M+NH4]+ 453.17686 214.5
[M+K]+ 474.10620 213.3
[M+H-H2O]+ 418.14030 197.2
[M+HCOO]- 480.14124 223.9
[M+CH3COO]- 494.15689 243.9
[M+Na-2H]- 456.11771 207.6
[M]+ 435.14249 209.0
[M]- 435.14359 209.0
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.