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]+ 300.14548 170.3
[M+Na]+ 322.12742 181.3
[M-H]- 298.13092 170.0
[M+NH4]+ 317.17202 181.5
[M+K]+ 338.10136 174.7
[M+H-H2O]+ 282.13546 160.5
[M+HCOO]- 344.13640 187.5
[M+CH3COO]- 358.15205 180.4
[M+Na-2H]- 320.11287 178.7
[M]+ 299.13765 173.0
[M]- 299.13875 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.