CID 387290

Nsc680984

Structural Information

Molecular Formula
C19H16N4O5
SMILES
C1C(C(OC1N2C3=NC4=CC5=CC=CC=C5C=C4N=C3C(=O)NC2=O)CO)O
InChI
InChI=1S/C19H16N4O5/c24-8-14-13(25)7-15(28-14)23-17-16(18(26)22-19(23)27)20-11-5-9-3-1-2-4-10(9)6-12(11)21-17/h1-6,13-15,24-25H,7-8H2,(H,22,26,27)
InChIKey
VLALGVDYALURRM-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]naphtho[2,3-g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11206 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11934 188.5
[M+Na]+ 403.10128 200.1
[M-H]- 379.10478 191.1
[M+NH4]+ 398.14588 196.4
[M+K]+ 419.07522 193.6
[M+H-H2O]+ 363.10932 178.4
[M+HCOO]- 425.11026 199.4
[M+CH3COO]- 439.12591 197.2
[M+Na-2H]- 401.08673 192.4
[M]+ 380.11151 190.5
[M]- 380.11261 190.5
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.