CID 135570904

Einecs 283-697-6

Structural Information

Molecular Formula
C52H56ClN5O5
SMILES
CCCCN(C1=CC=C(C=C1)N=NC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC4=C(C=CC(=C4)NC(=O)COC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC)Cl)C(=O)C6=CC=CC=C6
InChI
InChI=1S/C52H56ClN5O5/c1-8-11-29-58(50(62)34-17-13-12-14-18-34)38-25-22-36(23-26-38)56-57-44-32-41(48(60)40-20-16-15-19-39(40)44)49(61)55-45-31-37(24-27-43(45)53)54-47(59)33-63-46-28-21-35(51(4,5)9-2)30-42(46)52(6,7)10-3/h12-28,30-32,60H,8-11,29,33H2,1-7H3,(H,54,59)(H,55,61)
InChIKey
FMSDZGFVUUORTH-UHFFFAOYSA-N
Compound name
4-[[4-[benzoyl(butyl)amino]phenyl]diazenyl]-N-[5-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

865.397 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 866.40428 307.7
[M+Na]+ 888.38622 304.3
[M-H]- 864.38972 322.2
[M+NH4]+ 883.43082 299.1
[M+K]+ 904.36016 302.7
[M+H-H2O]+ 848.39426 291.4
[M+HCOO]- 910.39520 318.4
[M+CH3COO]- 924.41085 324.8
[M+Na-2H]- 886.37167 305.3
[M]+ 865.39645 315.5
[M]- 865.39755 315.5
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.