CID 59231937

4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=C(N2C(=C1)C(=NC=N2)N)C=O
InChI
InChI=1S/C7H6N4O/c8-7-6-2-1-5(3-12)11(6)10-4-9-7/h1-4H,(H2,8,9,10)
InChIKey
AUSIXBDHIDXLFK-UHFFFAOYSA-N
Compound name
4-aminopyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

162.05415 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 129.5
[M+Na]+ 185.04337 141.6
[M-H]- 161.04687 130.8
[M+NH4]+ 180.08797 149.0
[M+K]+ 201.01731 138.3
[M+H-H2O]+ 145.05141 121.9
[M+HCOO]- 207.05235 153.7
[M+CH3COO]- 221.06800 143.8
[M+Na-2H]- 183.02882 138.3
[M]+ 162.05360 131.1
[M]- 162.05470 131.1
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