CID 161710

31464-38-7

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N5O2/c1-20(12-2-11-17)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21(22)23/h3-10H,2,12H2,1H3
InChIKey
GYBDRUAPPXYFAN-UHFFFAOYSA-N
Compound name
3-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.1226 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 177.6
[M+Na]+ 332.11182 189.5
[M+NH4]+ 327.15642 181.6
[M+K]+ 348.08576 180.9
[M-H]- 308.11532 177.4
[M+Na-2H]- 330.09727 183.2
[M]+ 309.12205 178.3
[M]- 309.12315 178.3
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