CID 6455203

Einecs 265-941-3

Structural Information

Molecular Formula
C36H52N2O6
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2(C=CC(C3=CC=CC=C32)OCC(=O)NCCOC)O)C(C)(C)CC
InChI
InChI=1S/C36H52N2O6/c1-8-34(3,4)26-16-17-31(29(24-26)35(5,6)9-2)43-22-13-12-20-38-33(40)36(41)19-18-30(27-14-10-11-15-28(27)36)44-25-32(39)37-21-23-42-7/h10-11,14-19,24,30,41H,8-9,12-13,20-23,25H2,1-7H3,(H,37,39)(H,38,40)
InChIKey
XZKVUOGBWORXLA-UHFFFAOYSA-N
Compound name
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]-4H-naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.3825 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.389776 254.0
[M+Na]+ 631.371718 252.8
[M-H]- 607.375224 257.2
[M+NH4]+ 626.416323 257.5
[M+K]+ 647.345658 250.4
[M+H-H2O]+ 591.379760 244.2
[M+HCOO]- 653.380701 265.4
[M+CH3COO]- 667.396351 269.1
[M+Na-2H]- 629.357166 253.5
[M]+ 608.38195142 261.1
[M]- 608.38304858 261.1
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.