CID 118087826

8-iodopyrazolo[1,5-a][1,3,5]triazin-4-amine

Structural Information

Molecular Formula
C5H4IN5
SMILES
C1=NN2C(=C1I)N=CN=C2N
InChI
InChI=1S/C5H4IN5/c6-3-1-10-11-4(3)8-2-9-5(11)7/h1-2H,(H2,7,8,9)
InChIKey
BTGHVDMQZMXGGF-UHFFFAOYSA-N
Compound name
8-iodopyrazolo[1,5-a][1,3,5]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.95114 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.958416 129.2
[M+Na]+ 283.940358 134.6
[M-H]- 259.943864 122.6
[M+NH4]+ 278.984963 143.0
[M+K]+ 299.914298 137.3
[M+H-H2O]+ 243.948400 117.9
[M+HCOO]- 305.949341 147.3
[M+CH3COO]- 319.964991 139.2
[M+Na-2H]- 281.925806 127.3
[M]+ 260.95059142 127.6
[M]- 260.95168858 127.6
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