CID 135505589

Einecs 265-678-4

Structural Information

Molecular Formula
C47H56Cl4N6O6
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(=C(C=C4)OC)OC)OC5=CC(=C(C=C5)O)C(C)(C)C
InChI
InChI=1S/C47H56Cl4N6O6/c1-7-8-9-10-11-12-13-14-15-16-17-40(63-32-20-22-38(58)33(28-32)47(2,3)4)45(59)52-30-18-21-34(49)37(26-30)53-44-42(55-54-31-19-23-39(61-5)41(27-31)62-6)46(60)57(56-44)43-35(50)24-29(48)25-36(43)51/h18-28,40,42,58H,7-17H2,1-6H3,(H,52,59)(H,53,56)
InChIKey
XCUBBBXGENOKTJ-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)diazenyl]-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

33
Patents

940.3015 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 941.30878 315.1
[M+Na]+ 963.29072 315.1
[M-H]- 939.29422 324.3
[M+NH4]+ 958.33532 305.8
[M+K]+ 979.26466 311.3
[M+H-H2O]+ 923.29876 301.8
[M+HCOO]- 985.29970 311.1
[M+CH3COO]- 999.31535 321.1
[M+Na-2H]- 961.27617 303.5
[M]+ 940.30095 328.0
[M]- 940.30205 328.0
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