CID 136804046

4-[(3,5-dimethyl-2h-triazol-3-ium-4-yl)diazenyl]-n,n-dimethylaniline

Structural Information

Molecular Formula
C12H17N6
SMILES
CC1=NN[N+](=C1N=NC2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C12H16N6/c1-9-12(18(4)16-13-9)15-14-10-5-7-11(8-6-10)17(2)3/h5-8H,1-4H3/p+1
InChIKey
HBFNCLZUMVPLQX-UHFFFAOYSA-O
Compound name
4-[(3,5-dimethyl-2H-triazol-3-ium-4-yl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15875 152.9
[M+Na]+ 268.14069 166.7
[M+NH4]+ 263.18529 161.0
[M+K]+ 284.11463 163.2
[M-H]- 244.14419 158.8
[M+Na-2H]- 266.12614 162.2
[M]+ 245.15092 156.7
[M]- 245.15202 156.7
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

No patent data available for this compound.