CID 432860

Nsc316157

Structural Information

Molecular Formula
C18H18N2O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCNCCO)O
InChI
InChI=1S/C18H18N2O5/c21-8-7-19-5-6-20-12-9-13(22)14-15(18(12)25)17(24)11-4-2-1-3-10(11)16(14)23/h1-4,9,19-22,25H,5-8H2
InChIKey
QVDYNRJLVYYQRZ-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-2-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.12158 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.128856 174.2
[M+Na]+ 365.110798 181.5
[M-H]- 341.114304 175.9
[M+NH4]+ 360.155403 187.4
[M+K]+ 381.084738 176.5
[M+H-H2O]+ 325.118840 167.0
[M+HCOO]- 387.119781 192.4
[M+CH3COO]- 401.135431 214.3
[M+Na-2H]- 363.096246 179.1
[M]+ 342.12103142 174.8
[M]- 342.12212858 174.8
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