CID 10089048

N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C(C=C(C=C3)C4=NN=C(O4)C)C
InChI
InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)
InChIKey
UBVTVSINEVHYSY-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

347.1634 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 183.7
[M+Na]+ 370.15262 193.9
[M-H]- 346.15612 195.7
[M+NH4]+ 365.19722 190.0
[M+K]+ 386.12656 188.5
[M+H-H2O]+ 330.16066 174.2
[M+HCOO]- 392.16160 205.3
[M+CH3COO]- 406.17725 194.5
[M+Na-2H]- 368.13807 184.3
[M]+ 347.16285 188.6
[M]- 347.16395 188.6
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

No patent data available for this compound.