CID 387289

Nsc680983

Structural Information

Molecular Formula
C23H21N5O4
SMILES
C1C(C(OC1N2C3=NC(=CN=C3C(=NC2=O)N)C4=CC=C(C=C4)C5=CC=CC=C5)CO)O
InChI
InChI=1S/C23H21N5O4/c24-21-20-22(28(23(31)27-21)19-10-17(30)18(12-29)32-19)26-16(11-25-20)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,11,17-19,29-30H,10,12H2,(H2,24,27,31)
InChIKey
YJJXVFBNOUATSD-UHFFFAOYSA-N
Compound name
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(4-phenylphenyl)pteridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.15936 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.16664 204.6
[M+Na]+ 454.14858 213.0
[M-H]- 430.15208 211.9
[M+NH4]+ 449.19318 207.8
[M+K]+ 470.12252 206.2
[M+H-H2O]+ 414.15662 192.3
[M+HCOO]- 476.15756 217.5
[M+CH3COO]- 490.17321 211.8
[M+Na-2H]- 452.13403 204.7
[M]+ 431.15881 203.3
[M]- 431.15991 203.3
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.