CID 135722617

Dtxsid70886535

Structural Information

Molecular Formula
C49H54Cl4N6O4
SMILES
CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1)Cl)N=C2C(C(=O)N(N2)C3=C(C=C(C=C3Cl)Cl)Cl)N=NC4=CC=CC5=CC=CC=C54)OC6=CC(=C(C=C6)O)C(C)(C)C
InChI
InChI=1S/C49H54Cl4N6O4/c1-5-6-7-8-9-10-11-12-13-14-22-43(63-34-24-26-42(60)36(30-34)49(2,3)4)47(61)54-33-23-25-37(51)41(29-33)55-46-44(57-56-40-21-17-19-31-18-15-16-20-35(31)40)48(62)59(58-46)45-38(52)27-32(50)28-39(45)53/h15-21,23-30,43-44,60H,5-14,22H2,1-4H3,(H,54,61)(H,55,58)
InChIKey
RHQHOPSBCPLMEI-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-(naphthalen-1-yldiazenyl)-5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

930.2961 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 931.30338 313.4
[M+Na]+ 953.28532 313.5
[M-H]- 929.28882 322.1
[M+NH4]+ 948.32992 304.8
[M+K]+ 969.25926 307.8
[M+H-H2O]+ 913.29336 299.1
[M+HCOO]- 975.29430 307.8
[M+CH3COO]- 989.30995 318.5
[M+Na-2H]- 951.27077 303.2
[M]+ 930.29555 323.1
[M]- 930.29665 323.1
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.