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]+ 353.22238 186.9
[M+Na]+ 375.20432 192.7
[M-H]- 351.20782 196.1
[M+NH4]+ 370.24892 205.3
[M+K]+ 391.17826 190.5
[M+H-H2O]+ 335.21236 179.3
[M+HCOO]- 397.21330 208.9
[M+CH3COO]- 411.22895 221.9
[M+Na-2H]- 373.18977 190.8
[M]+ 352.21455 190.3
[M]- 352.21565 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.