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]+ 323.19786 177.3
[M+Na]+ 345.17980 183.8
[M-H]- 321.18330 187.2
[M+NH4]+ 340.22440 190.0
[M+K]+ 361.15374 180.3
[M+H-H2O]+ 305.18784 164.8
[M+HCOO]- 367.18878 203.7
[M+CH3COO]- 381.20443 223.2
[M+Na-2H]- 343.16525 181.7
[M]+ 322.19003 179.3
[M]- 322.19113 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.