CID 378942

Nsc662450

Structural Information

Molecular Formula
C23H17N3O4
SMILES
COC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H17N3O4/c1-29-19-10-7-17(8-11-19)25-26-18-9-12-21-15(13-18)14-20(23(28)30-21)22(27)24-16-5-3-2-4-6-16/h2-14H,1H3,(H,24,27)
InChIKey
HPLQFFDDUBHGMA-UHFFFAOYSA-N
Compound name
6-[(4-methoxyphenyl)diazenyl]-2-oxo-N-phenylchromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12192 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12920 194.4
[M+Na]+ 422.11114 201.7
[M-H]- 398.11464 208.4
[M+NH4]+ 417.15574 204.6
[M+K]+ 438.08508 199.1
[M+H-H2O]+ 382.11918 182.5
[M+HCOO]- 444.12012 221.6
[M+CH3COO]- 458.13577 233.5
[M+Na-2H]- 420.09659 202.0
[M]+ 399.12137 198.8
[M]- 399.12247 198.8
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.