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]+ 321.21728 179.8
[M+Na]+ 343.19922 182.0
[M-H]- 319.20272 183.7
[M+NH4]+ 338.24382 193.7
[M+K]+ 359.17316 179.8
[M+H-H2O]+ 303.20726 170.8
[M+HCOO]- 365.20820 199.3
[M+CH3COO]- 379.22385 208.9
[M+Na-2H]- 341.18467 178.7
[M]+ 320.20945 180.5
[M]- 320.21055 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.