CID 38741

41017-73-6

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)CN2CCCC2
InChI
InChI=1S/C20H32N2O3/c1-3-4-5-8-14-24-19-11-9-10-18(15-19)21-20(23)25-17(2)16-22-12-6-7-13-22/h9-11,15,17H,3-8,12-14,16H2,1-2H3,(H,21,23)
InChIKey
GRUCIMMCCNMIBO-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 188.8
[M+Na]+ 371.23052 190.1
[M-H]- 347.23402 192.3
[M+NH4]+ 366.27512 201.5
[M+K]+ 387.20446 187.4
[M+H-H2O]+ 331.23856 179.3
[M+HCOO]- 393.23950 207.5
[M+CH3COO]- 407.25515 214.8
[M+Na-2H]- 369.21597 186.6
[M]+ 348.24075 190.1
[M]- 348.24185 190.1
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.