CID 116986

71033-12-0

Structural Information

Molecular Formula
C19H24Cl2N5O2
SMILES
CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C19H24Cl2N5O2/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21/h6-9,12-13H,5,10-11H2,1-4H3/q+1
InChIKey
DAKGTANJAHPZSC-UHFFFAOYSA-N
Compound name
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

424.1307 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.13798 201.5
[M+Na]+ 447.11992 216.8
[M+NH4]+ 442.16452 210.1
[M+K]+ 463.09386 210.7
[M-H]- 423.12342 211.1
[M+Na-2H]- 445.10537 210.5
[M]+ 424.13015 207.4
[M]- 424.13125 207.4
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.