CID 135429454

Schembl6448718

Structural Information

Molecular Formula
C21H16N4O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C21H16N4O3/c1-13-6-5-11-22-18(13)19-24-21(28-25-19)16-12-15(9-10-17(16)26)23-20(27)14-7-3-2-4-8-14/h2-12,26H,1H3,(H,23,27)
InChIKey
ILJXMGIVYBIURY-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.12225 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12953 187.8
[M+Na]+ 395.11147 195.8
[M-H]- 371.11497 197.1
[M+NH4]+ 390.15607 194.5
[M+K]+ 411.08541 190.5
[M+H-H2O]+ 355.11951 176.2
[M+HCOO]- 417.12045 207.3
[M+CH3COO]- 431.13610 197.4
[M+Na-2H]- 393.09692 190.7
[M]+ 372.12170 188.7
[M]- 372.12280 188.7
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