CID 26457

14097-03-1

Structural Information

Molecular Formula
C19H25ClN5O2
SMILES
CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1
InChIKey
TZXATTMVGZDPHM-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

931
Patents

390.16968 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17696 193.6
[M+Na]+ 413.15890 208.3
[M+NH4]+ 408.20350 202.3
[M+K]+ 429.13284 202.9
[M-H]- 389.16240 203.7
[M+Na-2H]- 411.14435 203.3
[M]+ 390.16913 199.2
[M]- 390.17023 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe