CID 162131

52769-39-8

Structural Information

Molecular Formula
C18H20N6
SMILES
CC1=NC(=NN1C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3
InChI
InChI=1S/C18H20N6/c1-14-19-18(22-24(14)3)21-20-16-9-11-17(12-10-16)23(2)13-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3
InChIKey
CJYJXZJXJRLUNY-UHFFFAOYSA-N
Compound name
N-benzyl-4-[(1,5-dimethyl-1,2,4-triazol-3-yl)diazenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.17496 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.182236 176.4
[M+Na]+ 343.164178 183.9
[M-H]- 319.167684 186.7
[M+NH4]+ 338.208783 189.3
[M+K]+ 359.138118 180.1
[M+H-H2O]+ 303.172220 163.9
[M+HCOO]- 365.173161 204.2
[M+CH3COO]- 379.188811 222.8
[M+Na-2H]- 341.149626 181.8
[M]+ 320.17441142 179.8
[M]- 320.17550858 179.8
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.