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]+ 382.212506 192.0
[M+Na]+ 404.194448 196.1
[M-H]- 380.197954 195.6
[M+NH4]+ 399.239053 203.0
[M+K]+ 420.168388 191.2
[M+H-H2O]+ 364.202490 183.6
[M+HCOO]- 426.203431 210.5
[M+CH3COO]- 440.219081 219.7
[M+Na-2H]- 402.179896 195.2
[M]+ 381.20468142 192.7
[M]- 381.20577858 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