CID 103124

65072-22-2

Structural Information

Molecular Formula
C22H31N4O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C)C
InChI
InChI=1S/C22H31N4O/c1-7-25(8-2)20-13-14-21(17(3)15-20)24-23-19-11-9-18(10-12-19)22(27)16-26(4,5)6/h9-15H,7-8,16H2,1-6H3/q+1
InChIKey
LHSQAXPRSLOCBS-UHFFFAOYSA-N
Compound name
[2-[4-[[4-(diethylamino)-2-methylphenyl]diazenyl]phenyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.2498 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25708 191.3
[M+Na]+ 390.23902 195.4
[M-H]- 366.24252 202.9
[M+NH4]+ 385.28362 205.1
[M+K]+ 406.21296 188.4
[M+H-H2O]+ 350.24706 183.7
[M+HCOO]- 412.24800 219.2
[M+CH3COO]- 426.26365 233.9
[M+Na-2H]- 388.22447 197.1
[M]+ 367.24925 195.2
[M]- 367.25035 195.2
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.