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

10
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

literature stripe

Patent stripe

patents stripe