CID 3086998

Benzamide, 2-(2-((1,1-dimethylethyl)amino)ethoxy)-n-1h-indol-4-yl-, hydrochloride

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC(C)(C)NCCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3
InChI
InChI=1S/C21H25N3O2/c1-21(2,3)23-13-14-26-19-10-5-4-7-16(19)20(25)24-18-9-6-8-17-15(18)11-12-22-17/h4-12,22-23H,13-14H2,1-3H3,(H,24,25)
InChIKey
LWQZKVKTPMSWMH-UHFFFAOYSA-N
Compound name
2-[2-(tert-butylamino)ethoxy]-N-(1H-indol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

351.19467 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.201946 185.1
[M+Na]+ 374.183888 190.7
[M-H]- 350.187394 190.2
[M+NH4]+ 369.228493 198.3
[M+K]+ 390.157828 185.4
[M+H-H2O]+ 334.191930 176.6
[M+HCOO]- 396.192871 206.3
[M+CH3COO]- 410.208521 215.9
[M+Na-2H]- 372.169336 190.1
[M]+ 351.19412142 186.6
[M]- 351.19521858 186.6
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