CID 81642

7218-82-8

Structural Information

Molecular Formula
C42H54N4O2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)O)C)N=NC4=C(C=CC(=C4)C(C)(C)CC(C)(C)C)O
InChI
InChI=1S/C42H54N4O2/c1-27-21-29(13-17-33(27)43-45-35-23-31(15-19-37(35)47)41(9,10)25-39(3,4)5)30-14-18-34(28(2)22-30)44-46-36-24-32(16-20-38(36)48)42(11,12)26-40(6,7)8/h13-24,47-48H,25-26H2,1-12H3
InChIKey
ZURBUQJXNBJVPB-UHFFFAOYSA-N
Compound name
2-[[4-[4-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

646.4247 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.43198 267.4
[M+Na]+ 669.41392 269.8
[M-H]- 645.41742 281.4
[M+NH4]+ 664.45852 268.6
[M+K]+ 685.38786 266.1
[M+H-H2O]+ 629.42196 254.1
[M+HCOO]- 691.42290 284.8
[M+CH3COO]- 705.43855 291.3
[M+Na-2H]- 667.39937 268.4
[M]+ 646.42415 272.9
[M]- 646.42525 272.9
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.