CID 460817

2-(4-nitrophenyl)imidazo[1,2-a]pyrimidin-3-ol

Structural Information

Molecular Formula
C12H8N4O3
SMILES
C1=CN2C(=C(N=C2N=C1)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C12H8N4O3/c17-11-10(14-12-13-6-1-7-15(11)12)8-2-4-9(5-3-8)16(18)19/h1-7,17H
InChIKey
WCOKFBXIVJUZLD-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)imidazo[1,2-a]pyrimidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.05963 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06691 151.5
[M+Na]+ 279.04885 161.3
[M-H]- 255.05235 155.4
[M+NH4]+ 274.09345 165.5
[M+K]+ 295.02279 152.6
[M+H-H2O]+ 239.05689 147.0
[M+HCOO]- 301.05783 174.1
[M+CH3COO]- 315.07348 186.0
[M+Na-2H]- 277.03430 161.5
[M]+ 256.05908 151.5
[M]- 256.06018 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.