CID 19027485

72548-77-7

Structural Information

Molecular Formula
C28H31N3O2
SMILES
CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N4CCCC4)C(=O)O2)C5=CC=C(C=C5)N(C)C
InChI
InChI=1S/C28H31N3O2/c1-29(2)22-11-7-20(8-12-22)28(21-9-13-23(14-10-21)30(3)4)26-16-15-24(31-17-5-6-18-31)19-25(26)27(32)33-28/h7-16,19H,5-6,17-18H2,1-4H3
InChIKey
WGFSNTKSRNEXLZ-UHFFFAOYSA-N
Compound name
3,3-bis[4-(dimethylamino)phenyl]-6-pyrrolidin-1-yl-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

441.24164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.248916 208.8
[M+Na]+ 464.230858 213.9
[M-H]- 440.234364 224.3
[M+NH4]+ 459.275463 221.8
[M+K]+ 480.204798 210.8
[M+H-H2O]+ 424.238900 198.4
[M+HCOO]- 486.239841 229.2
[M+CH3COO]- 500.255491 218.3
[M+Na-2H]- 462.216306 206.0
[M]+ 441.24109142 210.1
[M]- 441.24218858 210.1
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

patents stripe