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]+ 352.20195 185.1
[M+Na]+ 374.18389 190.7
[M-H]- 350.18739 190.2
[M+NH4]+ 369.22849 198.3
[M+K]+ 390.15783 185.4
[M+H-H2O]+ 334.19193 176.6
[M+HCOO]- 396.19287 206.3
[M+CH3COO]- 410.20852 215.9
[M+Na-2H]- 372.16934 190.1
[M]+ 351.19412 186.6
[M]- 351.19522 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