CID 173481

75805-17-3

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
2
Annotation Hits

0
References

1977
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 209.0
[M+Na]+ 461.21996 225.1
[M+NH4]+ 456.26456 219.0
[M+K]+ 477.19390 217.1
[M-H]- 437.22346 218.1
[M+Na-2H]- 459.20541 217.7
[M]+ 438.23019 214.4
[M]- 438.23129 214.4
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