CID 135429363

Schembl7049265

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=C(C=C3)N(C)C)O
InChI
InChI=1S/C16H16N4O2/c1-10-5-4-8-17-14(10)15-18-16(22-19-15)12-7-6-11(20(2)3)9-13(12)21/h4-9,21H,1-3H3
InChIKey
JILYZQQURFNRFH-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.12732 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 169.3
[M+Na]+ 319.11654 178.8
[M-H]- 295.12004 177.1
[M+NH4]+ 314.16114 180.8
[M+K]+ 335.09048 175.7
[M+H-H2O]+ 279.12458 159.1
[M+HCOO]- 341.12552 190.6
[M+CH3COO]- 355.14117 181.2
[M+Na-2H]- 317.10199 172.9
[M]+ 296.12677 172.5
[M]- 296.12787 172.5
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