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]+ 211.097826 143.6
[M+Na]+ 233.079768 154.8
[M-H]- 209.083274 147.9
[M+NH4]+ 228.124373 160.9
[M+K]+ 249.053708 149.4
[M+H-H2O]+ 193.087810 134.6
[M+HCOO]- 255.088751 167.2
[M+CH3COO]- 269.104401 156.9
[M+Na-2H]- 231.065216 152.3
[M]+ 210.09000142 143.8
[M]- 210.09109858 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