CID 387001

Nsc680314

Structural Information

Molecular Formula
C25H22N2O4
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C=C(C=C4)O
InChI
InChI=1S/C25H22N2O4/c28-22-8-6-16-12-20(4-2-18(16)14-22)24(30)26-10-1-11-27-25(31)21-5-3-19-15-23(29)9-7-17(19)13-21/h2-9,12-15,28-29H,1,10-11H2,(H,26,30)(H,27,31)
InChIKey
MXGXSZFLBYRUBQ-UHFFFAOYSA-N
Compound name
6-hydroxy-N-[3-[(6-hydroxynaphthalene-2-carbonyl)amino]propyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.15796 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16524 196.6
[M+Na]+ 437.14718 202.1
[M-H]- 413.15068 202.2
[M+NH4]+ 432.19178 206.4
[M+K]+ 453.12112 196.2
[M+H-H2O]+ 397.15522 186.9
[M+HCOO]- 459.15616 215.7
[M+CH3COO]- 473.17181 228.2
[M+Na-2H]- 435.13263 201.4
[M]+ 414.15741 197.6
[M]- 414.15851 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.