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

14
Patents

441.24164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.24892 208.8
[M+Na]+ 464.23086 213.9
[M-H]- 440.23436 224.3
[M+NH4]+ 459.27546 221.8
[M+K]+ 480.20480 210.8
[M+H-H2O]+ 424.23890 198.4
[M+HCOO]- 486.23984 229.2
[M+CH3COO]- 500.25549 218.3
[M+Na-2H]- 462.21631 206.0
[M]+ 441.24109 210.1
[M]- 441.24219 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