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

1
Patents

342.12158 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 174.2
[M+Na]+ 365.11080 181.5
[M-H]- 341.11430 175.9
[M+NH4]+ 360.15540 187.4
[M+K]+ 381.08474 176.5
[M+H-H2O]+ 325.11884 167.0
[M+HCOO]- 387.11978 192.4
[M+CH3COO]- 401.13543 214.3
[M+Na-2H]- 363.09625 179.1
[M]+ 342.12103 174.8
[M]- 342.12213 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