CID 3085556

71673-03-5

Structural Information

Molecular Formula
C30H38N2O4
SMILES
C1CC(CCC1CNC2=C3C(=C(C=C2)NCC4CCC(CC4)CO)C(=O)C5=CC=CC=C5C3=O)CO
InChI
InChI=1S/C30H38N2O4/c33-17-21-9-5-19(6-10-21)15-31-25-13-14-26(32-16-20-7-11-22(18-34)12-8-20)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-4,13-14,19-22,31-34H,5-12,15-18H2
InChIKey
WYCMPIOTZTUXJF-UHFFFAOYSA-N
Compound name
1,4-bis[[4-(hydroxymethyl)cyclohexyl]methylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

490.28317 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.29045 222.5
[M+Na]+ 513.27239 232.3
[M+NH4]+ 508.31699 229.0
[M+K]+ 529.24633 223.6
[M-H]- 489.27589 229.1
[M+Na-2H]- 511.25784 225.3
[M]+ 490.28262 225.4
[M]- 490.28372 225.4
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

patents stripe