CID 211855

Lu 4-073 oxalate

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C22H28N2O2/c1-21(2)18-13-8-9-14-19(18)22(26-21,15-10-16-24(3)4)20(25)23-17-11-6-5-7-12-17/h5-9,11-14H,10,15-16H2,1-4H3,(H,23,25)
InChIKey
BTVKBAMRVNLJNW-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3,3-dimethyl-N-phenyl-2-benzofuran-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 186.9
[M+Na]+ 375.204318 192.7
[M-H]- 351.207824 196.1
[M+NH4]+ 370.248923 205.3
[M+K]+ 391.178258 190.5
[M+H-H2O]+ 335.212360 179.3
[M+HCOO]- 397.213301 208.9
[M+CH3COO]- 411.228951 221.9
[M+Na-2H]- 373.189766 190.8
[M]+ 352.21455142 190.3
[M]- 352.21564858 190.3
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.