CID 3072621

143503-29-1

Structural Information

Molecular Formula
C23H38N2O4
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCC2)COCCC
InChI
InChI=1S/C23H38N2O4/c1-3-5-6-11-17-28-22-13-8-7-12-21(22)24-23(26)29-20(19-27-16-4-2)18-25-14-9-10-15-25/h7-8,12-13,20H,3-6,9-11,14-19H2,1-2H3,(H,24,26)
InChIKey
XXDMQVXIMCZJLH-UHFFFAOYSA-N
Compound name
(1-propoxy-3-pyrrolidin-1-ylpropan-2-yl) N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.28317 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.29045 204.3
[M+Na]+ 429.27239 204.0
[M-H]- 405.27589 207.1
[M+NH4]+ 424.31699 214.4
[M+K]+ 445.24633 201.3
[M+H-H2O]+ 389.28043 194.0
[M+HCOO]- 451.28137 222.1
[M+CH3COO]- 465.29702 225.6
[M+Na-2H]- 427.25784 200.7
[M]+ 406.28262 208.1
[M]- 406.28372 208.1
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.