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]+ 348.170676 183.7
[M+Na]+ 370.152618 193.9
[M-H]- 346.156124 195.7
[M+NH4]+ 365.197223 190.0
[M+K]+ 386.126558 188.5
[M+H-H2O]+ 330.160660 174.2
[M+HCOO]- 392.161601 205.3
[M+CH3COO]- 406.177251 194.5
[M+Na-2H]- 368.138066 184.3
[M]+ 347.16285142 188.6
[M]- 347.16394858 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

literature stripe

Patent stripe

patents stripe