CID 58055

C 6005

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC1=CC(=CC(=C1)OCC(C)N(C)C(=O)OCCN2CCCC2)C
InChI
InChI=1S/C19H30N2O3/c1-15-11-16(2)13-18(12-15)24-14-17(3)20(4)19(22)23-10-9-21-7-5-6-8-21/h11-13,17H,5-10,14H2,1-4H3
InChIKey
NXTIPLPONIJRNU-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.232926 184.3
[M+Na]+ 357.214868 187.2
[M-H]- 333.218374 189.9
[M+NH4]+ 352.259473 198.5
[M+K]+ 373.188808 186.1
[M+H-H2O]+ 317.222910 175.3
[M+HCOO]- 379.223851 203.9
[M+CH3COO]- 393.239501 216.4
[M+Na-2H]- 355.200316 181.2
[M]+ 334.22510142 187.0
[M]- 334.22619858 187.0
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.