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]+ 366.217606 189.6
[M+Na]+ 388.199548 194.7
[M-H]- 364.203054 194.5
[M+NH4]+ 383.244153 202.2
[M+K]+ 404.173488 189.2
[M+H-H2O]+ 348.207590 180.9
[M+HCOO]- 410.208531 210.5
[M+CH3COO]- 424.224181 218.9
[M+Na-2H]- 386.184996 194.0
[M]+ 365.20978142 191.3
[M]- 365.21087858 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