CID 44154218

72208-01-6

Structural Information

Molecular Formula
C19H25N6
SMILES
CN1C[N+](=C(N1C)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C19H25N6/c1-22(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)20-21-19-23(2)15-24(3)25(19)4/h5-13H,14-15H2,1-4H3/q+1
InChIKey
SIOGKXIQWCDONG-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21408 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22136 183.8
[M+Na]+ 360.20330 190.4
[M-H]- 336.20680 194.1
[M+NH4]+ 355.24790 196.0
[M+K]+ 376.17724 181.2
[M+H-H2O]+ 320.21134 174.0
[M+HCOO]- 382.21228 209.4
[M+CH3COO]- 396.22793 219.8
[M+Na-2H]- 358.18875 189.5
[M]+ 337.21353 185.1
[M]- 337.21463 185.1
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.