CID 5362007

Isoalloxazine, 6,7-dimethyl-9-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C17H21N5O2
SMILES
CC1=CC(=C2C(=C1C)N=C3C(=N2)NC(=O)NC3=O)CCCN(C)C
InChI
InChI=1S/C17H21N5O2/c1-9-8-11(6-5-7-22(3)4)13-12(10(9)2)18-14-15(19-13)20-17(24)21-16(14)23/h8H,5-7H2,1-4H3,(H2,19,20,21,23,24)
InChIKey
OGGDPEZSHFUOOK-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16953 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 181.4
[M+Na]+ 350.15875 193.3
[M-H]- 326.16225 181.5
[M+NH4]+ 345.20335 192.1
[M+K]+ 366.13269 186.4
[M+H-H2O]+ 310.16679 171.7
[M+HCOO]- 372.16773 197.8
[M+CH3COO]- 386.18338 214.8
[M+Na-2H]- 348.14420 187.0
[M]+ 327.16898 185.6
[M]- 327.17008 185.6
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.