CID 93954

58104-38-4

Structural Information

Molecular Formula
C16H16N6
SMILES
CN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=NN3
InChI
InChI=1S/C16H16N6/c1-22(11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-21-16-17-12-18-20-16/h2-10,12H,11H2,1H3,(H,17,18,20)
InChIKey
FZGDYRXFIQRRDI-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-4-(1H-1,2,4-triazol-5-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15093 164.9
[M+Na]+ 315.13287 171.0
[M-H]- 291.13637 173.4
[M+NH4]+ 310.17747 177.6
[M+K]+ 331.10681 166.9
[M+H-H2O]+ 275.14091 152.7
[M+HCOO]- 337.14185 192.0
[M+CH3COO]- 351.15750 176.2
[M+Na-2H]- 313.11832 172.8
[M]+ 292.14310 165.1
[M]- 292.14420 165.1
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.