CID 55548

86746-05-6

Structural Information

Molecular Formula
C19H31N3O2
SMILES
CC1=CC(=C(C(=C1)C)OCC(=O)NCCCN2CCN(CC2)C)C
InChI
InChI=1S/C19H31N3O2/c1-15-12-16(2)19(17(3)13-15)24-14-18(23)20-6-5-7-22-10-8-21(4)9-11-22/h12-13H,5-11,14H2,1-4H3,(H,20,23)
InChIKey
PPDVIFKGVITNAL-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.24164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.24892 185.3
[M+Na]+ 356.23086 189.5
[M-H]- 332.23436 188.2
[M+NH4]+ 351.27546 196.4
[M+K]+ 372.20480 185.7
[M+H-H2O]+ 316.23890 175.4
[M+HCOO]- 378.23984 201.6
[M+CH3COO]- 392.25549 216.5
[M+Na-2H]- 354.21631 184.2
[M]+ 333.24109 185.2
[M]- 333.24219 185.2
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