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 205.0
[M+Na]+ 447.11992 209.3
[M-H]- 423.12342 214.7
[M+NH4]+ 442.16452 216.3
[M+K]+ 463.09386 196.6
[M+H-H2O]+ 407.12796 203.4
[M+HCOO]- 469.12890 224.7
[M+CH3COO]- 483.14455 232.6
[M+Na-2H]- 445.10537 211.6
[M]+ 424.13015 210.1
[M]- 424.13125 210.1
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.