CID 135429354

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

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CN(C)C1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3)O
InChI
InChI=1S/C15H14N4O2/c1-19(2)10-6-7-11(13(20)9-10)15-17-14(18-21-15)12-5-3-4-8-16-12/h3-9,20H,1-2H3
InChIKey
PCXJSGGAOQMPDM-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.11166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 164.1
[M+Na]+ 305.10088 173.1
[M-H]- 281.10438 171.6
[M+NH4]+ 300.14548 175.8
[M+K]+ 321.07482 170.2
[M+H-H2O]+ 265.10892 153.7
[M+HCOO]- 327.10986 185.7
[M+CH3COO]- 341.12551 176.0
[M+Na-2H]- 303.08633 168.9
[M]+ 282.11111 166.5
[M]- 282.11221 166.5
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