CID 58676

101652-02-2

Structural Information

Molecular Formula
C14H13Cl2N5O2
SMILES
CN(C)CCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl
InChI
InChI=1S/C14H13Cl2N5O2/c1-20(2)3-4-21-10-6-8(16)7(15)5-9(10)17-11-12(21)18-14(23)19-13(11)22/h5-6H,3-4H2,1-2H3,(H,19,22,23)
InChIKey
HBMUEIUMVGLGMU-UHFFFAOYSA-N
Compound name
7,8-dichloro-10-[2-(dimethylamino)ethyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.04462 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05190 175.8
[M+Na]+ 376.03384 189.1
[M-H]- 352.03734 176.0
[M+NH4]+ 371.07844 187.2
[M+K]+ 392.00778 182.0
[M+H-H2O]+ 336.04188 167.0
[M+HCOO]- 398.04282 183.6
[M+CH3COO]- 412.05847 185.9
[M+Na-2H]- 374.01929 181.4
[M]+ 353.04407 182.4
[M]- 353.04517 182.4
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.