CID 81268

5-nitro-n-phenylpyridin-2-amine

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O2/c15-14(16)10-6-7-11(12-8-10)13-9-4-2-1-3-5-9/h1-8H,(H,12,13)
InChIKey
NIPKIXLTWQXXEE-UHFFFAOYSA-N
Compound name
5-nitro-N-phenylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

23
Patents

215.06947 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 142.4
[M+Na]+ 238.058688 148.8
[M-H]- 214.062194 148.0
[M+NH4]+ 233.103293 158.0
[M+K]+ 254.032628 141.6
[M+H-H2O]+ 198.066730 138.6
[M+HCOO]- 260.067671 168.6
[M+CH3COO]- 274.083321 183.0
[M+Na-2H]- 236.044136 153.0
[M]+ 215.06892142 139.4
[M]- 215.07001858 139.4
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