CID 3023968

94200-84-7

Structural Information

Molecular Formula
C41H51N3O4
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NCCCCOC4=C(C=C(C=C4)C(C)(C)C)C5CCCC5)C
InChI
InChI=1S/C41H51N3O4/c1-6-44(22-23-45)31-18-19-36(28(2)25-31)43-37-27-35(39(46)33-16-10-9-15-32(33)37)40(47)42-21-11-12-24-48-38-20-17-30(41(3,4)5)26-34(38)29-13-7-8-14-29/h9-10,15-20,25-27,29,45H,6-8,11-14,21-24H2,1-5H3,(H,42,47)
InChIKey
VDEDPTHMIPKIFK-UHFFFAOYSA-N
Compound name
N-[4-(4-tert-butyl-2-cyclopentylphenoxy)butyl]-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.38794 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.39522 264.7
[M+Na]+ 672.37716 263.0
[M-H]- 648.38066 276.7
[M+NH4]+ 667.42176 266.6
[M+K]+ 688.35110 258.2
[M+H-H2O]+ 632.38520 252.1
[M+HCOO]- 694.38614 279.8
[M+CH3COO]- 708.40179 283.7
[M+Na-2H]- 670.36261 258.0
[M]+ 649.38739 266.4
[M]- 649.38849 266.4
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.