CID 3075939

Benzamide, 2-(3-((1,1-dimethylpropyl)amino)propoxy)-n-1h-indol-4-yl-, hydrochloride

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCC(C)(C)NCCCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3
InChI
InChI=1S/C23H29N3O2/c1-4-23(2,3)25-14-8-16-28-21-12-6-5-9-18(21)22(27)26-20-11-7-10-19-17(20)13-15-24-19/h5-7,9-13,15,24-25H,4,8,14,16H2,1-3H3,(H,26,27)
InChIKey
SGDQNOYWLDVWKD-UHFFFAOYSA-N
Compound name
N-(1H-indol-4-yl)-2-[3-(2-methylbutan-2-ylamino)propoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.22598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 195.0
[M+Na]+ 402.21520 205.6
[M+NH4]+ 397.25980 201.1
[M+K]+ 418.18914 200.2
[M-H]- 378.21870 198.4
[M+Na-2H]- 400.20065 201.2
[M]+ 379.22543 197.3
[M]- 379.22653 197.3
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