CID 82353

10110-24-4

Structural Information

Molecular Formula
C19H16N2O5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OCCOCCC#N)N
InChI
InChI=1S/C19H16N2O5/c20-6-3-7-25-8-9-26-14-10-13(22)15-16(17(14)21)19(24)12-5-2-1-4-11(12)18(15)23/h1-2,4-5,10,22H,3,7-9,21H2
InChIKey
RTKVEWJRBWDVRC-UHFFFAOYSA-N
Compound name
3-[2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyethoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.10593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 183.1
[M+Na]+ 375.09515 194.7
[M+NH4]+ 370.13975 185.9
[M+K]+ 391.06909 185.0
[M-H]- 351.09865 177.6
[M+Na-2H]- 373.08060 183.2
[M]+ 352.10538 182.2
[M]- 352.10648 182.2
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.