CID 58685

10-(2-(dimethylamino)ethyl)isoalloxazine sulfate

Structural Information

Molecular Formula
C14H15N5O2
SMILES
CN(C)CCN1C2=CC=CC=C2N=C3C1=NC(=O)NC3=O
InChI
InChI=1S/C14H15N5O2/c1-18(2)7-8-19-10-6-4-3-5-9(10)15-11-12(19)16-14(21)17-13(11)20/h3-6H,7-8H2,1-2H3,(H,17,20,21)
InChIKey
XFMDZQIHOAZCBR-UHFFFAOYSA-N
Compound name
10-[2-(dimethylamino)ethyl]benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1226 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 166.1
[M+Na]+ 308.11182 177.0
[M-H]- 284.11532 166.9
[M+NH4]+ 303.15642 178.5
[M+K]+ 324.08576 171.7
[M+H-H2O]+ 268.11986 156.1
[M+HCOO]- 330.12080 183.8
[M+CH3COO]- 344.13645 176.9
[M+Na-2H]- 306.09727 174.5
[M]+ 285.12205 168.9
[M]- 285.12315 168.9
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.