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 163.9
[M+Na]+ 307.11654 168.9
[M-H]- 283.12004 170.5
[M+NH4]+ 302.16114 177.1
[M+K]+ 323.09048 161.6
[M+H-H2O]+ 267.12458 158.9
[M+HCOO]- 329.12552 190.3
[M+CH3COO]- 343.14117 202.8
[M+Na-2H]- 305.10199 171.4
[M]+ 284.12677 162.2
[M]- 284.12787 162.2
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

No patent data available for this compound.