CID 105261

Einecs 266-131-2

Structural Information

Molecular Formula
C42H34N4O2
SMILES
CC1=CC(=C(C=C1N=NC2=C(C=CC3=CC=CC=C32)O)C)C(C4=CC=CC=C4)C5=CC(=C(C=C5)N=NC6=C(C=CC7=CC=CC=C76)O)C
InChI
InChI=1S/C42H34N4O2/c1-26-25-37(44-46-42-34-16-10-8-12-30(34)19-22-39(42)48)28(3)24-35(26)40(31-13-5-4-6-14-31)32-17-20-36(27(2)23-32)43-45-41-33-15-9-7-11-29(33)18-21-38(41)47/h4-25,40,47-48H,1-3H3
InChIKey
QKBDUVOVAJJXGL-UHFFFAOYSA-N
Compound name
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2,5-dimethylphenyl]-phenylmethyl]-2-methylphenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

626.2682 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.27548 259.1
[M+Na]+ 649.25742 264.2
[M-H]- 625.26092 276.7
[M+NH4]+ 644.30202 260.7
[M+K]+ 665.23136 257.2
[M+H-H2O]+ 609.26546 241.6
[M+HCOO]- 671.26640 281.7
[M+CH3COO]- 685.28205 264.2
[M+Na-2H]- 647.24287 261.4
[M]+ 626.26765 261.4
[M]- 626.26875 261.4
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.