CID 21119916

28634-38-0

Structural Information

Molecular Formula
C38H52N4O2
SMILES
C1CCC(CC1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=C(C=CC(=C5C3=O)NC6CCCCC6)NC7CCCCC7
InChI
InChI=1S/C38H52N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h21-28,39-42H,1-20H2
InChIKey
DHYWINPMPQWEJZ-UHFFFAOYSA-N
Compound name
1,4,5,8-tetrakis(cyclohexylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

596.409 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.41628 230.8
[M+Na]+ 619.39822 223.0
[M-H]- 595.40172 240.3
[M+NH4]+ 614.44282 231.2
[M+K]+ 635.37216 215.7
[M+H-H2O]+ 579.40626 215.7
[M+HCOO]- 641.40720 235.2
[M+CH3COO]- 655.42285 230.3
[M+Na-2H]- 617.38367 225.6
[M]+ 596.40845 210.7
[M]- 596.40955 210.7
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