CID 173481

3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1h-indol-3-yl)phthalide

Structural Information

Molecular Formula
C29H30N2O2
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)N(CC)CC)C
InChI
InChI=1S/C29H30N2O2/c1-5-30(6-2)22-18-16-21(17-19-22)29(25-14-10-8-12-23(25)28(32)33-29)27-20(4)31(7-3)26-15-11-9-13-24(26)27/h8-19H,5-7H2,1-4H3
InChIKey
HOUWRQXIBSGOHF-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2220
Patents

438.23074 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.238016 211.4
[M+Na]+ 461.219958 220.9
[M-H]- 437.223464 224.6
[M+NH4]+ 456.264563 226.3
[M+K]+ 477.193898 215.4
[M+H-H2O]+ 421.228000 201.8
[M+HCOO]- 483.228941 232.5
[M+CH3COO]- 497.244591 222.0
[M+Na-2H]- 459.205406 210.4
[M]+ 438.23019142 218.2
[M]- 438.23128858 218.2
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