CID 57326

7,8-dichloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride

Structural Information

Molecular Formula
C15H15Cl2N5O2
SMILES
CN(C)CCCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl
InChI
InChI=1S/C15H15Cl2N5O2/c1-21(2)4-3-5-22-11-7-9(17)8(16)6-10(11)18-12-13(22)19-15(24)20-14(12)23/h6-7H,3-5H2,1-2H3,(H,20,23,24)
InChIKey
TWPTVYXSYKOUEE-UHFFFAOYSA-N
Compound name
7,8-dichloro-10-[3-(dimethylamino)propyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.06027 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06755 180.2
[M+Na]+ 390.04949 193.0
[M-H]- 366.05299 180.3
[M+NH4]+ 385.09409 191.1
[M+K]+ 406.02343 185.8
[M+H-H2O]+ 350.05753 171.2
[M+HCOO]- 412.05847 187.7
[M+CH3COO]- 426.07412 189.9
[M+Na-2H]- 388.03494 185.3
[M]+ 367.05972 187.1
[M]- 367.06082 187.1
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.