CID 22174174

36499-49-7

Structural Information

Molecular Formula
C29H30N2O2
SMILES
CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)C)C)C
InChI
InChI=1S/C29H30N2O2/c1-6-31(7-2)21-16-17-24(19(3)18-21)29(25-14-10-8-12-22(25)28(32)33-29)27-20(4)30(5)26-15-11-9-13-23(26)27/h8-18H,6-7H2,1-5H3
InChIKey
LCGJEUAHECYSFW-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethylindol-3-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
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 211.5
[M+Na]+ 461.219958 221.8
[M-H]- 437.223464 225.1
[M+NH4]+ 456.264563 226.7
[M+K]+ 477.193898 216.4
[M+H-H2O]+ 421.228000 202.2
[M+HCOO]- 483.228941 232.5
[M+CH3COO]- 497.244591 222.4
[M+Na-2H]- 459.205406 209.9
[M]+ 438.23019142 218.8
[M]- 438.23128858 218.8
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