CID 136086471

72906-48-0

Structural Information

Molecular Formula
C42H34N4O3
SMILES
CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OC)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/C42H34N4O3/c1-26-24-31(14-20-36(26)43-45-41-34-10-6-4-8-28(34)16-22-38(41)47)40(30-12-18-33(49-3)19-13-30)32-15-21-37(27(2)25-32)44-46-42-35-11-7-5-9-29(35)17-23-39(42)48/h4-25,40,47-48H,1-3H3
InChIKey
CQLJQBRAMWKJMT-UHFFFAOYSA-N
Compound name
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methylphenyl]-(4-methoxyphenyl)methyl]-2-methylphenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

642.26306 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.27034 268.3
[M+Na]+ 665.25228 288.3
[M+NH4]+ 660.29688 275.7
[M+K]+ 681.22622 273.9
[M-H]- 641.25578 283.9
[M+Na-2H]- 663.23773 282.0
[M]+ 642.26251 276.1
[M]- 642.26361 276.1
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.