CID 56760

Sch 3741

Structural Information

Molecular Formula
C19H37N3O3
SMILES
CCC(CN1CCCCC1)(C(=O)NCCN(CC)CC)C(=O)OCC
InChI
InChI=1S/C19H37N3O3/c1-5-19(18(24)25-8-4,16-22-13-10-9-11-14-22)17(23)20-12-15-21(6-2)7-3/h5-16H2,1-4H3,(H,20,23)
InChIKey
WOPRPVGQAVRWKC-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(diethylamino)ethylcarbamoyl]-2-(piperidin-1-ylmethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.28348 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.29076 191.9
[M+Na]+ 378.27270 190.8
[M-H]- 354.27620 192.8
[M+NH4]+ 373.31730 202.9
[M+K]+ 394.24664 190.4
[M+H-H2O]+ 338.28074 183.1
[M+HCOO]- 400.28168 207.6
[M+CH3COO]- 414.29733 223.5
[M+Na-2H]- 376.25815 190.7
[M]+ 355.28293 192.5
[M]- 355.28403 192.5
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.