CID 135410170

159326-75-7

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=CN2C(=C1)C(=O)NC(=N2)N
InChI
InChI=1S/C6H6N4O/c7-6-8-5(11)4-2-1-3-10(4)9-6/h1-3H,(H3,7,8,9,11)
InChIKey
GOZHMTPUHBNEJV-UHFFFAOYSA-N
Compound name
2-amino-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

150.05415 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 125.9
[M+Na]+ 173.04337 138.8
[M+NH4]+ 168.08797 133.2
[M+K]+ 189.01731 135.6
[M-H]- 149.04687 126.1
[M+Na-2H]- 171.02882 132.1
[M]+ 150.05360 127.5
[M]- 150.05470 127.5
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