CID 51341377

X5i03tzq8d

Structural Information

Molecular Formula
C11H16N5O
SMILES
CN(C)C(=[N+](C)C)N1C2=CC=CC=C2[N+](=N1)[O-]
InChI
InChI=1S/C11H16N5O/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15/h5-8H,1-4H3/q+1
InChIKey
OCAFBWCIHWDTKE-UHFFFAOYSA-N
Compound name
[dimethylamino-(3-oxidobenzotriazol-3-ium-1-yl)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

338
Patents

234.13548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14276 151.5
[M+Na]+ 257.12470 159.6
[M-H]- 233.12820 154.8
[M+NH4]+ 252.16930 167.7
[M+K]+ 273.09864 148.3
[M+H-H2O]+ 217.13274 150.3
[M+HCOO]- 279.13368 174.4
[M+CH3COO]- 293.14933 185.2
[M+Na-2H]- 255.11015 161.7
[M]+ 234.13493 150.7
[M]- 234.13603 150.7
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