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 182.7
[M+Na]+ 360.20330 188.3
[M-H]- 336.20680 192.5
[M+NH4]+ 355.24790 194.4
[M+K]+ 376.17724 179.1
[M+H-H2O]+ 320.21134 172.6
[M+HCOO]- 382.21228 208.3
[M+CH3COO]- 396.22793 219.3
[M+Na-2H]- 358.18875 189.1
[M]+ 337.21353 183.6
[M]- 337.21463 183.6
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.