CID 387165

1,3,5-triazino[1,2-a]benzimidazol-2-amine

Structural Information

Molecular Formula
C9H7N5
SMILES
C1=CC=C2C(=C1)N=C3N2C=NC(=N3)N
InChI
InChI=1S/C9H7N5/c10-8-11-5-14-7-4-2-1-3-6(7)12-9(14)13-8/h1-5H,(H2,10,12,13)
InChIKey
REQUSPHPOKKVPV-UHFFFAOYSA-N
Compound name
[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

185.07014 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07742 136.4
[M+Na]+ 208.05936 148.9
[M-H]- 184.06286 137.3
[M+NH4]+ 203.10396 154.5
[M+K]+ 224.03330 144.0
[M+H-H2O]+ 168.06740 127.7
[M+HCOO]- 230.06834 158.0
[M+CH3COO]- 244.08399 149.8
[M+Na-2H]- 206.04481 147.1
[M]+ 185.06959 137.4
[M]- 185.07069 137.4
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

No patent data available for this compound.