CID 73557147

112360-63-1

Structural Information

Molecular Formula
C17H29N7
SMILES
CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=[N+](C=NN2C)C
InChI
InChI=1S/C17H29N7/c1-7-23(12-13-24(4,5)6)16-10-8-15(9-11-16)19-20-17-21(2)14-18-22(17)3/h8-11,14H,7,12-13H2,1-6H3/q+2
InChIKey
FZVHLECEVJPVNO-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.24844 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.25572 177.5
[M+Na]+ 354.23766 183.3
[M-H]- 330.24116 186.3
[M+NH4]+ 349.28226 190.4
[M+K]+ 370.21160 171.1
[M+H-H2O]+ 314.24570 171.6
[M+HCOO]- 376.24664 203.9
[M+CH3COO]- 390.26229 218.6
[M+Na-2H]- 352.22311 188.7
[M]+ 331.24789 180.3
[M]- 331.24899 180.3
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.