CID 23153065

4-(2-methyl-4-nitrophenoxy)pyridin-2-amine

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=NC=C2)N
InChI
InChI=1S/C12H11N3O3/c1-8-6-9(15(16)17)2-3-11(8)18-10-4-5-14-12(13)7-10/h2-7H,1H3,(H2,13,14)
InChIKey
ZZTYDAVBBQOEOR-UHFFFAOYSA-N
Compound name
4-(2-methyl-4-nitrophenoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

245.08005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08733 151.2
[M+Na]+ 268.06927 158.8
[M-H]- 244.07277 156.9
[M+NH4]+ 263.11387 165.9
[M+K]+ 284.04321 151.7
[M+H-H2O]+ 228.07731 147.4
[M+HCOO]- 290.07825 176.6
[M+CH3COO]- 304.09390 189.7
[M+Na-2H]- 266.05472 159.0
[M]+ 245.07950 149.7
[M]- 245.08060 149.7
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