CID 58668

7-chloro-10-(3-(dimethylamino)propyl)isoalloxazine hydrochloride

Structural Information

Molecular Formula
C15H16ClN5O2
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O
InChI
InChI=1S/C15H16ClN5O2/c1-20(2)6-3-7-21-11-5-4-9(16)8-10(11)17-12-13(21)18-15(23)19-14(12)22/h4-5,8H,3,6-7H2,1-2H3,(H,19,22,23)
InChIKey
QFCYDSUBXXQUFD-UHFFFAOYSA-N
Compound name
7-chloro-10-[3-(dimethylamino)propyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10652 175.9
[M+Na]+ 356.08846 187.8
[M-H]- 332.09196 176.5
[M+NH4]+ 351.13306 187.4
[M+K]+ 372.06240 181.1
[M+H-H2O]+ 316.09650 166.3
[M+HCOO]- 378.09744 188.5
[M+CH3COO]- 392.11309 186.1
[M+Na-2H]- 354.07391 182.5
[M]+ 333.09869 181.4
[M]- 333.09979 181.4
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.