CID 387292

Nsc680986

Structural Information

Molecular Formula
C23H18N4O5
SMILES
C1C(C(OC1N2C3=NC4=C(C5=CC6=CC=CC=C6C=C5C=C4)N=C3C(=O)NC2=O)CO)O
InChI
InChI=1S/C23H18N4O5/c28-10-17-16(29)9-18(32-17)27-21-20(22(30)26-23(27)31)25-19-14-8-12-4-2-1-3-11(12)7-13(14)5-6-15(19)24-21/h1-8,16-18,28-29H,9-10H2,(H,26,30,31)
InChIKey
NGPQAQPGFXJSES-UHFFFAOYSA-N
Compound name
4-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]anthra[1,2-g]pteridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.12772 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13500 201.6
[M+Na]+ 453.11694 213.9
[M-H]- 429.12044 205.5
[M+NH4]+ 448.16154 208.2
[M+K]+ 469.09088 206.5
[M+H-H2O]+ 413.12498 190.5
[M+HCOO]- 475.12592 211.7
[M+CH3COO]- 489.14157 209.6
[M+Na-2H]- 451.10239 206.2
[M]+ 430.12717 205.1
[M]- 430.12827 205.1
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.