CID 178553

Me-3221

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CC1=CC(=C(C(=N1)C)OC)OCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C22H21N5O2/c1-14-12-20(21(28-3)15(2)23-14)29-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)
InChIKey
FTDRSCZZEUAAIP-UHFFFAOYSA-N
Compound name
3-methoxy-2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

218
Patents

387.16953 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17681 195.5
[M+Na]+ 410.15875 204.7
[M-H]- 386.16225 201.3
[M+NH4]+ 405.20335 200.8
[M+K]+ 426.13269 196.6
[M+H-H2O]+ 370.16679 182.2
[M+HCOO]- 432.16773 212.0
[M+CH3COO]- 446.18338 203.9
[M+Na-2H]- 408.14420 196.8
[M]+ 387.16898 197.8
[M]- 387.17008 197.8
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