CID 3062685

1-propanone, 1-(2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-3-(1-methyl-1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CC(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O
InChI
InChI=1S/C20H28N2O3/c1-15(2)21-13-17(23)14-25-20-9-5-4-8-18(20)19(24)11-10-16-7-6-12-22(16)3/h4-9,12,15,17,21,23H,10-11,13-14H2,1-3H3
InChIKey
MHNQZRVZOOXHBP-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.217276 186.2
[M+Na]+ 367.199218 189.5
[M-H]- 343.202724 189.6
[M+NH4]+ 362.243823 198.5
[M+K]+ 383.173158 186.2
[M+H-H2O]+ 327.207260 177.4
[M+HCOO]- 389.208201 205.3
[M+CH3COO]- 403.223851 215.0
[M+Na-2H]- 365.184666 183.6
[M]+ 344.20945142 188.5
[M]- 344.21054858 188.5
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

No patent data available for this compound.