CID 135597596

2-phenyl-7h-pyrrolo[2,3-d]pyrimidin-4-ol

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CN3)C(=O)N2
InChI
InChI=1S/C12H9N3O/c16-12-9-6-7-13-11(9)14-10(15-12)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16)
InChIKey
FBCXXFFNKMCXBW-UHFFFAOYSA-N
Compound name
2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

211.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 143.5
[M+Na]+ 234.063768 154.8
[M-H]- 210.067274 145.6
[M+NH4]+ 229.108373 159.7
[M+K]+ 250.037708 148.1
[M+H-H2O]+ 194.071810 135.3
[M+HCOO]- 256.072751 164.0
[M+CH3COO]- 270.088401 156.1
[M+Na-2H]- 232.049216 151.6
[M]+ 211.07400142 142.3
[M]- 211.07509858 142.3
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

patents stripe