CID 15114293

121487-83-0

Structural Information

Molecular Formula
C26H31N3O3
SMILES
CCCNC(=O)C1=CC(=NC2=C(C=C(C=C2)N(CC)CC)OCC)C3=CC=CC=C3C1=O
InChI
InChI=1S/C26H31N3O3/c1-5-15-27-26(31)21-17-23(19-11-9-10-12-20(19)25(21)30)28-22-14-13-18(29(6-2)7-3)16-24(22)32-8-4/h9-14,16-17H,5-8,15H2,1-4H3,(H,27,31)
InChIKey
MHSZVBOHIAAPSZ-UHFFFAOYSA-N
Compound name
4-[4-(diethylamino)-2-ethoxyphenyl]imino-1-oxo-N-propylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

433.23654 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.243816 208.8
[M+Na]+ 456.225758 212.9
[M-H]- 432.229264 217.9
[M+NH4]+ 451.270363 219.7
[M+K]+ 472.199698 209.3
[M+H-H2O]+ 416.233800 197.9
[M+HCOO]- 478.234741 232.2
[M+CH3COO]- 492.250391 246.1
[M+Na-2H]- 454.211206 209.0
[M]+ 433.23599142 213.3
[M]- 433.23708858 213.3
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

patents stripe