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

6
Patents

379.22598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 193.7
[M+Na]+ 402.215198 198.3
[M-H]- 378.218704 198.3
[M+NH4]+ 397.259803 205.6
[M+K]+ 418.189138 192.5
[M+H-H2O]+ 362.223240 184.7
[M+HCOO]- 424.224181 214.2
[M+CH3COO]- 438.239831 222.5
[M+Na-2H]- 400.200646 197.6
[M]+ 379.22543142 195.9
[M]- 379.22652858 195.9
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