CID 1477845

3-(imidazo[1,2-a]pyrimidin-2-yl)aniline

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CC(=CC(=C1)N)C2=CN3C=CC=NC3=N2
InChI
InChI=1S/C12H10N4/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H,13H2
InChIKey
HUUWWGMUBHRQMS-UHFFFAOYSA-N
Compound name
3-imidazo[1,2-a]pyrimidin-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

210.09055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 143.6
[M+Na]+ 233.07977 154.8
[M-H]- 209.08327 147.9
[M+NH4]+ 228.12437 160.9
[M+K]+ 249.05371 149.4
[M+H-H2O]+ 193.08781 134.6
[M+HCOO]- 255.08875 167.2
[M+CH3COO]- 269.10440 156.9
[M+Na-2H]- 231.06522 152.3
[M]+ 210.09000 143.8
[M]- 210.09110 143.8
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

patents stripe