CID 477904

4-methoxy-n-[4-[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

Structural Information

Molecular Formula
C23H20N4O3
SMILES
CC1=CC=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H20N4O3/c1-15-3-9-19(10-4-15)25-23-27-26-22(30-23)17-5-11-18(12-6-17)24-21(28)16-7-13-20(29-2)14-8-16/h3-14H,1-2H3,(H,24,28)(H,25,27)
InChIKey
ACDSSHCSFMMERO-UHFFFAOYSA-N
Compound name
4-methoxy-N-[4-[5-(4-methylanilino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.15353 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 195.7
[M+Na]+ 423.14275 202.3
[M-H]- 399.14625 207.2
[M+NH4]+ 418.18735 202.9
[M+K]+ 439.11669 197.8
[M+H-H2O]+ 383.15079 183.8
[M+HCOO]- 445.15173 218.4
[M+CH3COO]- 459.16738 205.3
[M+Na-2H]- 421.12820 198.8
[M]+ 400.15298 197.9
[M]- 400.15408 197.9
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

No patent data available for this compound.