CID 5362009

Isoalloxazine, 9-(3-dimethylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C15H17N5O2
SMILES
CN(C)CCCC1=C2C(=CC=C1)N=C3C(=N2)NC(=O)NC3=O
InChI
InChI=1S/C15H17N5O2/c1-20(2)8-4-6-9-5-3-7-10-11(9)17-13-12(16-10)14(21)19-15(22)18-13/h3,5,7H,4,6,8H2,1-2H3,(H2,17,18,19,21,22)
InChIKey
WAOLQMAQMWMSRQ-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propyl]-1H-benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1382 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.145476 170.3
[M+Na]+ 322.127418 181.3
[M-H]- 298.130924 170.0
[M+NH4]+ 317.172023 181.5
[M+K]+ 338.101358 174.7
[M+H-H2O]+ 282.135460 160.5
[M+HCOO]- 344.136401 187.5
[M+CH3COO]- 358.152051 180.4
[M+Na-2H]- 320.112866 178.7
[M]+ 299.13765142 173.0
[M]- 299.13874858 173.0
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.