CID 135764911

Primapterin

Structural Information

Molecular Formula
C9H11N5O3
SMILES
CC(C(C1=CN=C2C(=O)NC(=NC2=N1)N)O)O
InChI
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h2-3,6,15-16H,1H3,(H3,10,12,13,14,17)
InChIKey
LNXRKRFGNHXANN-UHFFFAOYSA-N
Compound name
2-amino-7-(1,2-dihydroxypropyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

3930
Patents

237.08618 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 152.6
[M+Na]+ 260.07540 161.7
[M-H]- 236.07890 148.4
[M+NH4]+ 255.12000 163.5
[M+K]+ 276.04934 157.2
[M+H-H2O]+ 220.08344 144.7
[M+HCOO]- 282.08438 166.4
[M+CH3COO]- 296.10003 188.6
[M+Na-2H]- 258.06085 157.7
[M]+ 237.08563 149.8
[M]- 237.08673 149.8
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.