CID 331139

Nsc321458

Structural Information

Molecular Formula
C24H30N2O6
SMILES
C1=CC(=C2C(=C1NCCCCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCCCCO
InChI
InChI=1S/C24H30N2O6/c27-13-5-1-3-11-25-15-7-8-16(26-12-4-2-6-14-28)20-19(15)23(31)21-17(29)9-10-18(30)22(21)24(20)32/h7-10,25-30H,1-6,11-14H2
InChIKey
AEPWTLRIDJMRJS-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-5,8-bis(5-hydroxypentylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.2104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.21768 203.1
[M+Na]+ 465.19962 207.6
[M-H]- 441.20312 202.4
[M+NH4]+ 460.24422 211.5
[M+K]+ 481.17356 201.9
[M+H-H2O]+ 425.20766 194.9
[M+HCOO]- 487.20860 217.6
[M+CH3COO]- 501.22425 233.9
[M+Na-2H]- 463.18507 204.0
[M]+ 442.20985 205.6
[M]- 442.21095 205.6
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.