CID 21078798

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

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4CC4
InChI
InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)
InChIKey
FOHZGCHKLPIBBX-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

347.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 183.1
[M+Na]+ 370.15262 192.5
[M-H]- 346.15612 194.7
[M+NH4]+ 365.19722 189.2
[M+K]+ 386.12656 187.1
[M+H-H2O]+ 330.16066 173.4
[M+HCOO]- 392.16160 204.8
[M+CH3COO]- 406.17725 193.6
[M+Na-2H]- 368.13807 184.5
[M]+ 347.16285 187.6
[M]- 347.16395 187.6
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.