CID 3072627

143503-32-6

Structural Information

Molecular Formula
C22H36N2O4
SMILES
CCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCC2)COCCC
InChI
InChI=1S/C22H36N2O4/c1-3-5-8-15-27-20-11-9-10-19(16-20)23-22(25)28-21(18-26-14-4-2)17-24-12-6-7-13-24/h9-11,16,21H,3-8,12-15,17-18H2,1-2H3,(H,23,25)
InChIKey
RVNNSLLJTKWABS-UHFFFAOYSA-N
Compound name
(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(3-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.26752 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27480 199.9
[M+Na]+ 415.25674 200.1
[M-H]- 391.26024 202.9
[M+NH4]+ 410.30134 210.6
[M+K]+ 431.23068 197.6
[M+H-H2O]+ 375.26478 189.9
[M+HCOO]- 437.26572 218.1
[M+CH3COO]- 451.28137 222.7
[M+Na-2H]- 413.24219 196.9
[M]+ 392.26697 203.3
[M]- 392.26807 203.3
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.