CID 421880

62442-71-1

Structural Information

Molecular Formula
C16H17Cl2N5O4
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C3=NC(=O)NC(=O)C3=N2)CCN(CCO)CCO
InChI
InChI=1S/C16H17Cl2N5O4/c17-9-7-11-12(8-10(9)18)23(2-1-22(3-5-24)4-6-25)14-13(19-11)15(26)21-16(27)20-14/h7-8,24-25H,1-6H2,(H,21,26,27)
InChIKey
GKYCCOBALDWOCX-UHFFFAOYSA-N
Compound name
10-[2-[bis(2-hydroxyethyl)amino]ethyl]-7,8-dichlorobenzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.06577 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.07305 187.2
[M+Na]+ 436.05499 198.3
[M-H]- 412.05849 184.9
[M+NH4]+ 431.09959 194.8
[M+K]+ 452.02893 191.1
[M+H-H2O]+ 396.06303 178.9
[M+HCOO]- 458.06397 192.0
[M+CH3COO]- 472.07962 221.9
[M+Na-2H]- 434.04044 191.7
[M]+ 413.06522 194.0
[M]- 413.06632 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.