CID 3076114

Brn 4220045

Structural Information

Molecular Formula
C40H26Cl2N4
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)N=CC4=CC=C(C=C4)Cl)C(=NC5=C2C=C(C=C5)N=CC6=CC=C(C=C6)Cl)C7=CC=CC=C7
InChI
InChI=1S/C40H26Cl2N4/c41-31-15-11-27(12-16-31)25-43-33-19-21-37-35(23-33)39(29-7-3-1-4-8-29)45-38-22-20-34(44-26-28-13-17-32(42)18-14-28)24-36(38)40(46-37)30-9-5-2-6-10-30/h1-26H
InChIKey
UMOOTOHTVAOFST-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-[2-[(4-chlorophenyl)methylideneamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.15344 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.16072 215.9
[M+Na]+ 655.14266 223.0
[M+NH4]+ 650.18726 218.3
[M+K]+ 671.11660 216.6
[M-H]- 631.14616 220.0
[M+Na-2H]- 653.12811 219.0
[M]+ 632.15289 218.4
[M]- 632.15399 218.4
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.