CID 103450

65749-36-2

Structural Information

Molecular Formula
C42H55N3O4
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C(C=C(C=C3)N(CC)CCO)C)C4=CC=CC=C4C2=O)C(C)(C)CC
InChI
InChI=1S/C42H55N3O4/c1-9-41(5,6)30-18-21-38(35(27-30)42(7,8)10-2)49-25-15-14-22-43-40(48)34-28-37(32-16-12-13-17-33(32)39(34)47)44-36-20-19-31(26-29(36)4)45(11-3)23-24-46/h12-13,16-21,26-28,46H,9-11,14-15,22-25H2,1-8H3,(H,43,48)
InChIKey
XGGOANIEEUCIAR-UHFFFAOYSA-N
Compound name
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

665.41925 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.42653 273.6
[M+Na]+ 688.40847 283.2
[M+NH4]+ 683.45307 276.6
[M+K]+ 704.38241 274.7
[M-H]- 664.41197 279.6
[M+Na-2H]- 686.39392 278.1
[M]+ 665.41870 276.7
[M]- 665.41980 276.7
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