CID 92278

Disperse orange 25

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3
InChIKey
ZSPPPAFDNHYXNW-UHFFFAOYSA-N
Compound name
3-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

954
Patents

323.1382 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 181.6
[M+Na]+ 346.12742 193.4
[M+NH4]+ 341.17202 185.5
[M+K]+ 362.10136 184.5
[M-H]- 322.13092 181.4
[M+Na-2H]- 344.11287 187.0
[M]+ 323.13765 182.3
[M]- 323.13875 182.3
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