CID 10200651

N-(3-cyanophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

Structural Information

Molecular Formula
C24H18N4O2
SMILES
CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N
InChI
InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)
InChIKey
PMMLSQFPBFKLHH-UHFFFAOYSA-N
Compound name
N-(3-cyanophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

394.14297 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15025 201.0
[M+Na]+ 417.13219 211.1
[M-H]- 393.13569 208.6
[M+NH4]+ 412.17679 207.4
[M+K]+ 433.10613 203.1
[M+H-H2O]+ 377.14023 182.5
[M+HCOO]- 439.14117 217.6
[M+CH3COO]- 453.15682 208.5
[M+Na-2H]- 415.11764 200.4
[M]+ 394.14242 196.8
[M]- 394.14352 196.8
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