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

2163
Patents

438.23074 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23802 211.4
[M+Na]+ 461.21996 220.9
[M-H]- 437.22346 224.6
[M+NH4]+ 456.26456 226.3
[M+K]+ 477.19390 215.4
[M+H-H2O]+ 421.22800 201.8
[M+HCOO]- 483.22894 232.5
[M+CH3COO]- 497.24459 222.0
[M+Na-2H]- 459.20541 210.4
[M]+ 438.23019 218.2
[M]- 438.23129 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