CID 3077190

Methanone, (2-(3-((1,1-dimethylethyl)amino)propoxy)phenyl)-1h-indol-4-yl-, monobenzoate

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC(C)(C)NCCCOC1=CC=CC=C1C(=O)C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C22H26N2O2/c1-22(2,3)24-13-7-15-26-20-11-5-4-8-18(20)21(25)17-9-6-10-19-16(17)12-14-23-19/h4-6,8-12,14,23-24H,7,13,15H2,1-3H3
InChIKey
GGOKUFOQZWMUBV-UHFFFAOYSA-N
Compound name
[2-[3-(tert-butylamino)propoxy]phenyl]-(1H-indol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

350.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 186.9
[M+Na]+ 373.18865 199.1
[M+NH4]+ 368.23325 193.8
[M+K]+ 389.16259 193.5
[M-H]- 349.19215 190.2
[M+Na-2H]- 371.17410 193.7
[M]+ 350.19888 189.6
[M]- 350.19998 189.6
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