CID 3087000

Benzamide, 2-(3-((1,1-dimethylethyl)amino)propoxy)-n-1h-indol-4-yl-, ethanedioate

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC(C)(C)NCCCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3
InChI
InChI=1S/C22H27N3O2/c1-22(2,3)24-13-7-15-27-20-11-5-4-8-17(20)21(26)25-19-10-6-9-18-16(19)12-14-23-18/h4-6,8-12,14,23-24H,7,13,15H2,1-3H3,(H,25,26)
InChIKey
BRDBZRVJMAHYJT-UHFFFAOYSA-N
Compound name
2-[3-(tert-butylamino)propoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.21033 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 189.6
[M+Na]+ 388.19955 194.7
[M-H]- 364.20305 194.5
[M+NH4]+ 383.24415 202.2
[M+K]+ 404.17349 189.2
[M+H-H2O]+ 348.20759 180.9
[M+HCOO]- 410.20853 210.5
[M+CH3COO]- 424.22418 218.9
[M+Na-2H]- 386.18500 194.0
[M]+ 365.20978 191.3
[M]- 365.21088 191.3
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