CID 3088761

2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-n-(1-methyl-1h-indol-4-yl)benzamide

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C(=O)NC2=C3C=CN(C3=CC=C2)C)O
InChI
InChI=1S/C23H29N3O3/c1-23(2,3)24-14-16(27)15-29-21-11-6-5-8-18(21)22(28)25-19-9-7-10-20-17(19)12-13-26(20)4/h5-13,16,24,27H,14-15H2,1-4H3,(H,25,28)
InChIKey
UFYLEEPMGYUVED-UHFFFAOYSA-N
Compound name
2-[3-(tert-butylamino)-2-hydroxypropoxy]-N-(1-methylindol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

395.2209 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 197.7
[M+Na]+ 418.21012 207.8
[M+NH4]+ 413.25472 203.1
[M+K]+ 434.18406 204.0
[M-H]- 394.21362 200.5
[M+Na-2H]- 416.19557 202.9
[M]+ 395.22035 199.7
[M]- 395.22145 199.7
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