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

7
Patents

350.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 187.2
[M+Na]+ 373.188648 193.2
[M-H]- 349.192154 192.1
[M+NH4]+ 368.233253 200.7
[M+K]+ 389.162588 187.5
[M+H-H2O]+ 333.196690 178.8
[M+HCOO]- 395.197631 207.0
[M+CH3COO]- 409.213281 214.3
[M+Na-2H]- 371.174096 190.8
[M]+ 350.19888142 189.7
[M]- 350.19997858 189.7
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