CID 361051

Nsc623794

Structural Information

Molecular Formula
C24H18N2O5
SMILES
C1C(OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3)C(=O)NCC5=CN=CC=C5
InChI
InChI=1S/C24H18N2O5/c27-18-11-21(30-19-6-2-1-5-17(18)19)16-7-8-20-22(10-16)29-14-23(31-20)24(28)26-13-15-4-3-9-25-12-15/h1-12,23H,13-14H2,(H,26,28)
InChIKey
CQMNZRRKXROANJ-UHFFFAOYSA-N
Compound name
6-(4-oxochromen-2-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.12158 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12886 198.7
[M+Na]+ 437.11080 205.6
[M-H]- 413.11430 210.2
[M+NH4]+ 432.15540 204.0
[M+K]+ 453.08474 204.0
[M+H-H2O]+ 397.11884 186.4
[M+HCOO]- 459.11978 213.9
[M+CH3COO]- 473.13543 207.6
[M+Na-2H]- 435.09625 205.3
[M]+ 414.12103 200.8
[M]- 414.12213 200.8
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.