CID 174449

Einecs 286-742-8

Structural Information

Molecular Formula
C19H24N6
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NN(CN3C)C
InChI
InChI=1S/C19H24N6/c1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)20-21-19-22-24(3)15-23(19)2/h5-13H,4,14-15H2,1-3H3
InChIKey
ZHMQAAAVBSOFAX-UHFFFAOYSA-N
Compound name
N-benzyl-4-[(2,4-dimethyl-3H-1,2,4-triazol-5-yl)diazenyl]-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.20624 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21352 182.0
[M+Na]+ 359.19546 188.2
[M-H]- 335.19896 191.8
[M+NH4]+ 354.24006 194.3
[M+K]+ 375.16940 184.4
[M+H-H2O]+ 319.20350 169.4
[M+HCOO]- 381.20444 208.1
[M+CH3COO]- 395.22009 225.4
[M+Na-2H]- 357.18091 185.9
[M]+ 336.20569 184.3
[M]- 336.20679 184.3
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.