CID 5981202

28058-22-2

Structural Information

Molecular Formula
C15H16N4O2
SMILES
CC(C)C1=CC=C(C=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H16N4O2/c1-11(2)13-5-3-12(4-6-13)9-17-18-15-8-7-14(10-16-15)19(20)21/h3-11H,1-2H3,(H,16,18)/b17-9-
InChIKey
WLOUUOGRUBGLOQ-MFOYZWKCSA-N
Compound name
5-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 164.1
[M+Na]+ 307.11654 177.4
[M+NH4]+ 302.16114 171.4
[M+K]+ 323.09048 172.9
[M-H]- 283.12004 170.3
[M+Na-2H]- 305.10199 172.9
[M]+ 284.12677 167.5
[M]- 284.12787 167.5
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

No patent data available for this compound.