CID 39202

42438-09-5

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)OC(C)CN2CCCC2
InChI
InChI=1S/C18H28N2O3/c1-3-4-13-22-17-9-7-16(8-10-17)19-18(21)23-15(2)14-20-11-5-6-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)
InChIKey
QMQNQNGZZUHYMT-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-ylpropan-2-yl N-(4-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 179.8
[M+Na]+ 343.199218 182.0
[M-H]- 319.202724 183.7
[M+NH4]+ 338.243823 193.7
[M+K]+ 359.173158 179.8
[M+H-H2O]+ 303.207260 170.8
[M+HCOO]- 365.208201 199.3
[M+CH3COO]- 379.223851 208.9
[M+Na-2H]- 341.184666 178.7
[M]+ 320.20945142 180.5
[M]- 320.21054858 180.5
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.