CID 9571320

Nsc642577

Structural Information

Molecular Formula
C21H19N3O6
SMILES
COC1=CC=CC=C1NC(=O)CC(=O)N/N=C/2\C=C(OC3=CC=CC=C32)C(=O)OC
InChI
InChI=1S/C21H19N3O6/c1-28-17-10-6-4-8-14(17)22-19(25)12-20(26)24-23-15-11-18(21(27)29-2)30-16-9-5-3-7-13(15)16/h3-11H,12H2,1-2H3,(H,22,25)(H,24,26)/b23-15+
InChIKey
ZKBLTTCSYKRFKG-HZHRSRAPSA-N
Compound name
methyl (4E)-4-[[3-(2-methoxyanilino)-3-oxopropanoyl]hydrazinylidene]chromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.12738 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13466 194.7
[M+Na]+ 432.11660 199.6
[M-H]- 408.12010 204.1
[M+NH4]+ 427.16120 203.9
[M+K]+ 448.09054 199.2
[M+H-H2O]+ 392.12464 184.2
[M+HCOO]- 454.12558 218.7
[M+CH3COO]- 468.14123 232.4
[M+Na-2H]- 430.10205 199.5
[M]+ 409.12683 199.9
[M]- 409.12793 199.9
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.