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

1
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

patents stripe