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]+ 335.23293 184.3
[M+Na]+ 357.21487 187.2
[M-H]- 333.21837 189.9
[M+NH4]+ 352.25947 198.5
[M+K]+ 373.18881 186.1
[M+H-H2O]+ 317.22291 175.3
[M+HCOO]- 379.22385 203.9
[M+CH3COO]- 393.23950 216.4
[M+Na-2H]- 355.20032 181.2
[M]+ 334.22510 187.0
[M]- 334.22620 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.