CID 66937189

7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine

Structural Information

Molecular Formula
C13H10N4O3
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC3=NC=NN3C=C2
InChI
InChI=1S/C13H10N4O3/c1-9-6-10(17(18)19)2-3-12(9)20-11-4-5-16-13(7-11)14-8-15-16/h2-8H,1H3
InChIKey
RYAGSLNGXGMZRV-UHFFFAOYSA-N
Compound name
7-(2-methyl-4-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

270.0753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 156.7
[M+Na]+ 293.06452 166.5
[M-H]- 269.06802 161.8
[M+NH4]+ 288.10912 170.8
[M+K]+ 309.03846 158.4
[M+H-H2O]+ 253.07256 151.6
[M+HCOO]- 315.07350 180.4
[M+CH3COO]- 329.08915 191.6
[M+Na-2H]- 291.04997 166.4
[M]+ 270.07475 158.7
[M]- 270.07585 158.7
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