CID 111684

68877-61-2

Structural Information

Molecular Formula
C19H23N6
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=[N+](C=NN3C)C
InChI
InChI=1S/C19H23N6/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/h5-13,15H,4,14H2,1-3H3/q+1
InChIKey
UCHNARUTSDWULH-UHFFFAOYSA-N
Compound name
N-benzyl-4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.19843 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20571 182.0
[M+Na]+ 358.18765 188.6
[M-H]- 334.19115 192.2
[M+NH4]+ 353.23225 193.9
[M+K]+ 374.16159 179.2
[M+H-H2O]+ 318.19569 171.9
[M+HCOO]- 380.19663 208.9
[M+CH3COO]- 394.21228 218.9
[M+Na-2H]- 356.17310 189.4
[M]+ 335.19788 184.3
[M]- 335.19898 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

patents stripe