CID 3062693

98696-75-4

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O
InChI
InChI=1S/C19H27N3O3/c1-3-10-20-12-16(23)14-25-19-7-5-4-6-17(19)18(24)9-8-15-11-21-22(2)13-15/h4-7,11,13,16,20,23H,3,8-10,12,14H2,1-2H3
InChIKey
ONQRZZMHHLDGMT-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20523 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 184.7
[M+Na]+ 368.19445 188.8
[M-H]- 344.19795 186.9
[M+NH4]+ 363.23905 195.8
[M+K]+ 384.16839 185.0
[M+H-H2O]+ 328.20249 175.0
[M+HCOO]- 390.20343 203.9
[M+CH3COO]- 404.21908 213.9
[M+Na-2H]- 366.17990 184.1
[M]+ 345.20468 187.8
[M]- 345.20578 187.8
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.