CID 5192400

2-(azidomethyl)imidazo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C7H6N6
SMILES
C1=CN2C=C(N=C2N=C1)CN=[N+]=[N-]
InChI
InChI=1S/C7H6N6/c8-12-10-4-6-5-13-3-1-2-9-7(13)11-6/h1-3,5H,4H2
InChIKey
DOQHANASDOULKX-UHFFFAOYSA-N
Compound name
2-(azidomethyl)imidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

174.0654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07268 129.2
[M+Na]+ 197.05462 139.1
[M-H]- 173.05812 133.3
[M+NH4]+ 192.09922 148.4
[M+K]+ 213.02856 132.3
[M+H-H2O]+ 157.06266 124.7
[M+HCOO]- 219.06360 159.4
[M+CH3COO]- 233.07925 182.0
[M+Na-2H]- 195.04007 144.1
[M]+ 174.06485 129.1
[M]- 174.06595 129.1
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