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]+ 609.38978 254.0
[M+Na]+ 631.37172 252.8
[M-H]- 607.37522 257.2
[M+NH4]+ 626.41632 257.5
[M+K]+ 647.34566 250.4
[M+H-H2O]+ 591.37976 244.2
[M+HCOO]- 653.38070 265.4
[M+CH3COO]- 667.39635 269.1
[M+Na-2H]- 629.35717 253.5
[M]+ 608.38195 261.1
[M]- 608.38305 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.