CID 88343

20048-48-0

Structural Information

Molecular Formula
C26H31N4O
SMILES
CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H31N4O/c1-5-29(19-20-30(2,3)4)25-17-15-24(16-18-25)28-27-23-13-11-22(12-14-23)26(31)21-9-7-6-8-10-21/h6-18H,5,19-20H2,1-4H3/q+1
InChIKey
HMQCKDZOIKXSJK-UHFFFAOYSA-N
Compound name
2-[4-[(4-benzoylphenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.2498 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25708 204.7
[M+Na]+ 438.23902 207.1
[M-H]- 414.24252 218.4
[M+NH4]+ 433.28362 215.3
[M+K]+ 454.21296 198.6
[M+H-H2O]+ 398.24706 195.1
[M+HCOO]- 460.24800 232.2
[M+CH3COO]- 474.26365 240.2
[M+Na-2H]- 436.22447 211.5
[M]+ 415.24925 206.9
[M]- 415.25035 206.9
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.