CID 5361861

Isoalloxazine, 9-(3-(4-methyl-1-piperazinyl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H22N6O2
SMILES
CN1CCN(CC1)CCCC2=C3C(=CC=C2)N=C4C(=N3)NC(=O)NC4=O
InChI
InChI=1S/C18H22N6O2/c1-23-8-10-24(11-9-23)7-3-5-12-4-2-6-13-14(12)20-16-15(19-13)17(25)22-18(26)21-16/h2,4,6H,3,5,7-11H2,1H3,(H2,20,21,22,25,26)
InChIKey
UQXPGIXNPUPTKR-UHFFFAOYSA-N
Compound name
9-[3-(4-methylpiperazin-1-yl)propyl]-1H-benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.18042 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.187696 191.1
[M+Na]+ 377.169638 200.5
[M-H]- 353.173144 188.8
[M+NH4]+ 372.214243 196.2
[M+K]+ 393.143578 190.9
[M+H-H2O]+ 337.177680 178.6
[M+HCOO]- 399.178621 199.5
[M+CH3COO]- 413.194271 197.5
[M+Na-2H]- 375.155086 196.0
[M]+ 354.17987142 188.5
[M]- 354.18096858 188.5
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.