CID 16719049

936339-60-5

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C1=CC=NC(=C1)OCC2=CC=C(C=C2)CC3=NOC(=C3)C4=C(N=CC=C4)N
InChI
InChI=1S/C21H18N4O2/c22-21-18(4-3-11-24-21)19-13-17(25-27-19)12-15-6-8-16(9-7-15)14-26-20-5-1-2-10-23-20/h1-11,13H,12,14H2,(H2,22,24)
InChIKey
WSEKTEUGRLFBSE-UHFFFAOYSA-N
Compound name
3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

39
References

103
Patents

358.14297 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 184.6
[M+Na]+ 381.13219 192.4
[M-H]- 357.13569 193.9
[M+NH4]+ 376.17679 192.2
[M+K]+ 397.10613 186.7
[M+H-H2O]+ 341.14023 172.3
[M+HCOO]- 403.14117 205.5
[M+CH3COO]- 417.15682 194.5
[M+Na-2H]- 379.11764 188.6
[M]+ 358.14242 185.8
[M]- 358.14352 185.8
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.