CID 105259

66085-68-5

Structural Information

Molecular Formula
C41H32N4O2
SMILES
CC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)N=NC4=C(C=CC5=CC=CC=C54)O)C)N=NC6=C(C=CC7=CC=CC=C76)O
InChI
InChI=1S/C41H32N4O2/c1-26-24-31(16-20-35(26)42-44-40-33-14-8-6-10-28(33)18-22-37(40)46)39(30-12-4-3-5-13-30)32-17-21-36(27(2)25-32)43-45-41-34-15-9-7-11-29(34)19-23-38(41)47/h3-25,39,46-47H,1-2H3
InChIKey
WMIMXCPQTYMGDN-UHFFFAOYSA-N
Compound name
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]-phenylmethyl]-2-methylphenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

612.2525 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.25978 260.6
[M+Na]+ 635.24172 281.0
[M+NH4]+ 630.28632 268.8
[M+K]+ 651.21566 266.2
[M-H]- 611.24522 276.6
[M+Na-2H]- 633.22717 275.2
[M]+ 612.25195 268.6
[M]- 612.25305 268.6
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.