CID 3060003

N-(1-methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)

Structural Information

Molecular Formula
C19H31N3O
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)C(C)C
InChI
InChI=1S/C19H31N3O/c1-5-19(23)22(18-9-7-6-8-10-18)17(4)15-20-11-13-21(14-12-20)16(2)3/h6-10,16-17H,5,11-15H2,1-4H3
InChIKey
YSWJUEUHBJWSGB-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.2467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25398 181.2
[M+Na]+ 340.23592 182.2
[M-H]- 316.23942 184.6
[M+NH4]+ 335.28052 192.5
[M+K]+ 356.20986 180.2
[M+H-H2O]+ 300.24396 171.0
[M+HCOO]- 362.24490 195.8
[M+CH3COO]- 376.26055 215.9
[M+Na-2H]- 338.22137 179.3
[M]+ 317.24615 178.5
[M]- 317.24725 178.5
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.