CID 821089

4-{imidazo[1,2-a]pyrimidin-2-yl}aniline

Structural Information

Molecular Formula
C12H10N4
SMILES
C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)N
InChI
InChI=1S/C12H10N4/c13-10-4-2-9(3-5-10)11-8-16-7-1-6-14-12(16)15-11/h1-8H,13H2
InChIKey
BWWCSYRRKAQGID-UHFFFAOYSA-N
Compound name
4-imidazo[1,2-a]pyrimidin-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
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 143.8
[M+Na]+ 233.07977 159.5
[M+NH4]+ 228.12437 152.6
[M+K]+ 249.05371 153.7
[M-H]- 209.08327 148.0
[M+Na-2H]- 231.06522 153.9
[M]+ 210.09000 147.3
[M]- 210.09110 147.3
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