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
2
Annotation Hits

39
References

110
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

literature stripe

Patent stripe

patents stripe