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]+ 293.150926 164.9
[M+Na]+ 315.132868 171.0
[M-H]- 291.136374 173.4
[M+NH4]+ 310.177473 177.6
[M+K]+ 331.106808 166.9
[M+H-H2O]+ 275.140910 152.7
[M+HCOO]- 337.141851 192.0
[M+CH3COO]- 351.157501 176.2
[M+Na-2H]- 313.118316 172.8
[M]+ 292.14310142 165.1
[M]- 292.14419858 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.