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
1
Annotation Hits

0
References

0
Patents

433.23654 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.24382 208.8
[M+Na]+ 456.22576 212.9
[M-H]- 432.22926 217.9
[M+NH4]+ 451.27036 219.7
[M+K]+ 472.19970 209.3
[M+H-H2O]+ 416.23380 197.9
[M+HCOO]- 478.23474 232.2
[M+CH3COO]- 492.25039 246.1
[M+Na-2H]- 454.21121 209.0
[M]+ 433.23599 213.3
[M]- 433.23709 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

No patent data available for this compound.