CID 135429397

5-dimethylamino-2-[3-(3-phenyl-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-phenol

Structural Information

Molecular Formula
C21H18N4O2
SMILES
CN(C)C1=CC(=C(C=C1)C2=NC(=NO2)C3=C(C=CC=N3)C4=CC=CC=C4)O
InChI
InChI=1S/C21H18N4O2/c1-25(2)15-10-11-17(18(26)13-15)21-23-20(24-27-21)19-16(9-6-12-22-19)14-7-4-3-5-8-14/h3-13,26H,1-2H3
InChIKey
RFOPRJQVNLTJMB-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-[3-(3-phenylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

358.14297 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 185.7
[M+Na]+ 381.13219 194.0
[M-H]- 357.13569 196.1
[M+NH4]+ 376.17679 193.7
[M+K]+ 397.10613 189.3
[M+H-H2O]+ 341.14023 173.8
[M+HCOO]- 403.14117 206.2
[M+CH3COO]- 417.15682 196.1
[M+Na-2H]- 379.11764 188.8
[M]+ 358.14242 187.7
[M]- 358.14352 187.7
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

patents stripe