CID 93728

Einecs 260-833-2

Structural Information

Molecular Formula
C18H22N6
SMILES
CN1C=NN(C1N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C18H22N6/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3/h4-12,14,18H,13H2,1-3H3
InChIKey
MQTXAODTLDHXHR-UHFFFAOYSA-N
Compound name
N-benzyl-4-[(2,4-dimethyl-3H-1,2,4-triazol-3-yl)diazenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.19058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.197856 177.3
[M+Na]+ 345.179798 183.8
[M-H]- 321.183304 187.2
[M+NH4]+ 340.224403 190.0
[M+K]+ 361.153738 180.3
[M+H-H2O]+ 305.187840 164.8
[M+HCOO]- 367.188781 203.7
[M+CH3COO]- 381.204431 223.2
[M+Na-2H]- 343.165246 181.7
[M]+ 322.19003142 179.3
[M]- 322.19112858 179.3
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.