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

8
Patents

193.05997 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06725 137.8
[M+Na]+ 216.04919 149.5
[M-H]- 192.05269 138.0
[M+NH4]+ 211.09379 154.6
[M+K]+ 232.02313 147.1
[M+H-H2O]+ 176.05723 129.5
[M+HCOO]- 238.05817 159.9
[M+CH3COO]- 252.07382 183.7
[M+Na-2H]- 214.03464 145.5
[M]+ 193.05942 140.6
[M]- 193.06052 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