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]+ 321.18224 176.4
[M+Na]+ 343.16418 183.9
[M-H]- 319.16768 186.7
[M+NH4]+ 338.20878 189.3
[M+K]+ 359.13812 180.1
[M+H-H2O]+ 303.17222 163.9
[M+HCOO]- 365.17316 204.2
[M+CH3COO]- 379.18881 222.8
[M+Na-2H]- 341.14963 181.8
[M]+ 320.17441 179.8
[M]- 320.17551 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.