CID 3045296

91978-56-2

Structural Information

Molecular Formula
C17H19ClN4O3
SMILES
CCN(CCOC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C17H19ClN4O3/c1-3-21(10-11-25-2)14-6-4-13(5-7-14)19-20-17-9-8-15(22(23)24)12-16(17)18/h4-9,12H,3,10-11H2,1-2H3
InChIKey
MIZOQLUYGYTJIW-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-methoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

362.11456 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12184 183.2
[M+Na]+ 385.10378 196.8
[M+NH4]+ 380.14838 190.8
[M+K]+ 401.07772 191.0
[M-H]- 361.10728 191.0
[M+Na-2H]- 383.08923 192.0
[M]+ 362.11401 187.5
[M]- 362.11511 187.5
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

patents stripe