CID 47734

Vufb-8781

Structural Information

Molecular Formula
C19H31N3O5
SMILES
CN1CCN(CC1)CCCNC(=O)COC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C19H31N3O5/c1-21-8-10-22(11-9-21)7-5-6-20-18(23)14-27-15-12-16(24-2)19(26-4)17(13-15)25-3/h12-13H,5-11,14H2,1-4H3,(H,20,23)
InChIKey
MOJKYZIFWHGKCO-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.22638 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23366 192.5
[M+Na]+ 404.21560 195.9
[M-H]- 380.21910 195.2
[M+NH4]+ 399.26020 201.1
[M+K]+ 420.18954 194.2
[M+H-H2O]+ 364.22364 181.9
[M+HCOO]- 426.22458 209.3
[M+CH3COO]- 440.24023 222.9
[M+Na-2H]- 402.20105 191.8
[M]+ 381.22583 196.6
[M]- 381.22693 196.6
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.