CID 15604988

1h,2h,3h,4h-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione

Structural Information

Molecular Formula
C6H5N3O2
SMILES
C1=CN2C(=C1)C(=O)NC(=O)N2
InChI
InChI=1S/C6H5N3O2/c10-5-4-2-1-3-9(4)8-6(11)7-5/h1-3H,(H2,7,8,10,11)
InChIKey
AQTRWCPNROUMPO-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,1-f][1,2,4]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

151.03818 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04546 125.0
[M+Na]+ 174.02740 137.7
[M-H]- 150.03090 124.3
[M+NH4]+ 169.07200 144.1
[M+K]+ 190.00134 133.3
[M+H-H2O]+ 134.03544 118.5
[M+HCOO]- 196.03638 146.5
[M+CH3COO]- 210.05203 139.1
[M+Na-2H]- 172.01285 133.8
[M]+ 151.03763 125.0
[M]- 151.03873 125.0
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