CID 3086994

N-(2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-1h-indol-4-carboxamide oxalate

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1NC(=O)C2=C3C=CNC3=CC=C2)O
InChI
InChI=1S/C22H27N3O3/c1-22(2,3)24-13-15(26)14-28-20-10-5-4-8-19(20)25-21(27)17-7-6-9-18-16(17)11-12-23-18/h4-12,15,23-24,26H,13-14H2,1-3H3,(H,25,27)
InChIKey
MNBARBCBTZDDTO-UHFFFAOYSA-N
Compound name
N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1H-indole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

381.20523 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 192.0
[M+Na]+ 404.19445 196.1
[M-H]- 380.19795 195.6
[M+NH4]+ 399.23905 203.0
[M+K]+ 420.16839 191.2
[M+H-H2O]+ 364.20249 183.6
[M+HCOO]- 426.20343 210.5
[M+CH3COO]- 440.21908 219.7
[M+Na-2H]- 402.17990 195.2
[M]+ 381.20468 192.7
[M]- 381.20578 192.7
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