CID 58678

Isoalloxazine, 6,7-dichloro-10-(3-(n-(2-hydroxyethyl)ethylamino)propyl)-, sulfate

Structural Information

Molecular Formula
C17H19Cl2N5O3
SMILES
CCN(CCCN1C2=C(C(=C(C=C2)Cl)Cl)N=C3C1=NC(=O)NC3=O)CCO
InChI
InChI=1S/C17H19Cl2N5O3/c1-2-23(8-9-25)6-3-7-24-11-5-4-10(18)12(19)13(11)20-14-15(24)21-17(27)22-16(14)26/h4-5,25H,2-3,6-9H2,1H3,(H,22,26,27)
InChIKey
GLIATUWNNXAELQ-UHFFFAOYSA-N
Compound name
6,7-dichloro-10-[3-[ethyl(2-hydroxyethyl)amino]propyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0865 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09378 190.5
[M+Na]+ 434.07572 201.7
[M-H]- 410.07922 189.1
[M+NH4]+ 429.12032 198.8
[M+K]+ 450.04966 194.2
[M+H-H2O]+ 394.08376 181.4
[M+HCOO]- 456.08470 196.1
[M+CH3COO]- 470.10035 224.6
[M+Na-2H]- 432.06117 194.5
[M]+ 411.08595 197.8
[M]- 411.08705 197.8
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

No patent data available for this compound.