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
2
Annotation Hits

5
References

1273
Patents

323.1382 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 183.3
[M+Na]+ 346.127418 189.2
[M-H]- 322.130924 190.8
[M+NH4]+ 341.172023 195.0
[M+K]+ 362.101358 182.3
[M+H-H2O]+ 306.135460 170.6
[M+HCOO]- 368.136401 208.7
[M+CH3COO]- 382.152051 226.1
[M+Na-2H]- 344.112866 188.4
[M]+ 323.13765142 178.8
[M]- 323.13874858 178.8
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