CID 80974

Einecs 229-342-0

Structural Information

Molecular Formula
C41H32N4O4
SMILES
COC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)N=NC4=C(C=CC5=CC=CC=C54)O)OC)N=NC6=C(C=CC7=CC=CC=C76)O
InChI
InChI=1S/C41H32N4O4/c1-48-37-24-29(16-20-33(37)42-44-40-31-14-8-6-10-26(31)18-22-35(40)46)39(28-12-4-3-5-13-28)30-17-21-34(38(25-30)49-2)43-45-41-32-15-9-7-11-27(32)19-23-36(41)47/h3-25,39,46-47H,1-2H3
InChIKey
ICECDSOIPJGLDP-UHFFFAOYSA-N
Compound name
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-phenylmethyl]-2-methoxyphenyl]diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

644.2424 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.24968 266.0
[M+Na]+ 667.23162 285.4
[M+NH4]+ 662.27622 273.0
[M+K]+ 683.20556 271.6
[M-H]- 643.23512 281.2
[M+Na-2H]- 665.21707 279.8
[M]+ 644.24185 273.5
[M]- 644.24295 273.5
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