CID 106073

67906-27-8

Structural Information

Molecular Formula
C34H28Cl2N2O2
SMILES
C1CCC2=C(C1)C=CC=C2NC3=C4C(=C(C=C3)NC5=CC=CC6=C5CCCC6)C(=O)C7=CC(=C(C=C7C4=O)Cl)Cl
InChI
InChI=1S/C34H28Cl2N2O2/c35-25-17-23-24(18-26(25)36)34(40)32-30(38-28-14-6-10-20-8-2-4-12-22(20)28)16-15-29(31(32)33(23)39)37-27-13-5-9-19-7-1-3-11-21(19)27/h5-6,9-10,13-18,37-38H,1-4,7-8,11-12H2
InChIKey
MKOPRQXPAAQPSE-UHFFFAOYSA-N
Compound name
6,7-dichloro-1,4-bis(5,6,7,8-tetrahydronaphthalen-1-ylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.1528 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.16008 237.1
[M+Na]+ 589.14202 255.8
[M+NH4]+ 584.18662 247.5
[M+K]+ 605.11596 241.5
[M-H]- 565.14552 248.1
[M+Na-2H]- 587.12747 244.1
[M]+ 566.15225 243.9
[M]- 566.15335 243.9
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.