CID 6409674

B93rih1t7e

Structural Information

Molecular Formula
C10H15N6O
SMILES
CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-]
InChI
InChI=1S/C10H15N6O/c1-13(2)10(14(3)4)15-8-6-5-7-11-9(8)16(17)12-15/h5-7H,1-4H3/q+1
InChIKey
PDKXJKWLFFZPPF-UHFFFAOYSA-N
Compound name
[dimethylamino-(3-oxidotriazolo[4,5-b]pyridin-3-ium-1-yl)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4061
Patents

235.13074 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13802 150.4
[M+Na]+ 258.11996 159.0
[M-H]- 234.12346 152.6
[M+NH4]+ 253.16456 165.2
[M+K]+ 274.09390 147.6
[M+H-H2O]+ 218.12800 148.6
[M+HCOO]- 280.12894 172.3
[M+CH3COO]- 294.14459 185.1
[M+Na-2H]- 256.10541 161.6
[M]+ 235.13019 149.6
[M]- 235.13129 149.6
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