CID 163272212

Methyl 4-aminoimidazo[2,1-f][1,2,4]triazine-7-carboxylate

Structural Information

Molecular Formula
C7H7N5O2
SMILES
COC(=O)C1=CN=C2N1N=CN=C2N
InChI
InChI=1S/C7H7N5O2/c1-14-7(13)4-2-9-6-5(8)10-3-11-12(4)6/h2-3H,1H3,(H2,8,10,11)
InChIKey
WZIDQMQUGULJSF-UHFFFAOYSA-N
Compound name
methyl 4-aminoimidazo[2,1-f][1,2,4]triazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.05997 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.067246 137.8
[M+Na]+ 216.049188 149.5
[M-H]- 192.052694 138.0
[M+NH4]+ 211.093793 154.6
[M+K]+ 232.023128 147.1
[M+H-H2O]+ 176.057230 129.5
[M+HCOO]- 238.058171 159.9
[M+CH3COO]- 252.073821 183.7
[M+Na-2H]- 214.034636 145.5
[M]+ 193.05942142 140.6
[M]- 193.06051858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe