CID 505026

3-[[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-n,n-dimethyl-benzamide

Structural Information

Molecular Formula
C27H26N4O4
SMILES
CCC1=NN=C(O1)C(=O)CC(=O)N(CC2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(=O)N(C)C
InChI
InChI=1S/C27H26N4O4/c1-4-24-28-29-26(35-24)23(32)16-25(33)31(22-11-7-10-21(15-22)27(34)30(2)3)17-18-12-13-19-8-5-6-9-20(19)14-18/h5-15H,4,16-17H2,1-3H3
InChIKey
HMVPHALAJFZZRA-UHFFFAOYSA-N
Compound name
3-[[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-oxopropanoyl]-(naphthalen-2-ylmethyl)amino]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1954 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20268 216.1
[M+Na]+ 493.18462 220.6
[M-H]- 469.18812 227.4
[M+NH4]+ 488.22922 222.2
[M+K]+ 509.15856 218.9
[M+H-H2O]+ 453.19266 204.0
[M+HCOO]- 515.19360 236.6
[M+CH3COO]- 529.20925 246.4
[M+Na-2H]- 491.17007 215.9
[M]+ 470.19485 223.0
[M]- 470.19595 223.0
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.