CID 44147374

Einecs 276-615-5

Structural Information

Molecular Formula
C19H25N6
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3N(CN=[N+]3C)C
InChI
InChI=1S/C19H25N6/c1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3/h5-13,19H,4,14-15H2,1-3H3/q+1
InChIKey
URGSKUKJKAYVKE-UHFFFAOYSA-N
Compound name
N-benzyl-4-[(2,4-dimethyl-3,5-dihydro-1,2,4-triazol-2-ium-3-yl)diazenyl]-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.21408 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22136 179.5
[M+Na]+ 360.20330 194.3
[M+NH4]+ 355.24790 187.9
[M+K]+ 376.17724 188.7
[M-H]- 336.20680 188.3
[M+Na-2H]- 358.18875 190.8
[M]+ 337.21353 184.4
[M]- 337.21463 184.4
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.