CID 50576

69472-19-1

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N5O2/c1-2-3-14-23(15-4-13-20)18-9-5-16(6-10-18)21-22-17-7-11-19(12-8-17)24(25)26/h5-12H,2-4,14-15H2,1H3
InChIKey
MVKMKUHSGHKEDT-UHFFFAOYSA-N
Compound name
3-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

351.16953 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 189.7
[M+Na]+ 374.15875 201.0
[M+NH4]+ 369.20335 193.2
[M+K]+ 390.13269 191.8
[M-H]- 350.16225 189.4
[M+Na-2H]- 372.14420 194.6
[M]+ 351.16898 190.2
[M]- 351.17008 190.2
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