CID 3088517

Dimethylcarbamic acid 4-(1,1-dimethylethyl)-3-(2-(1-pyrrolidinyl)ethoxy)phenyl ester hcl

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CC(C)(C)C1=C(C=C(C=C1)OC(=O)N(C)C)OCCN2CCCC2
InChI
InChI=1S/C19H30N2O3/c1-19(2,3)16-9-8-15(24-18(22)20(4)5)14-17(16)23-13-12-21-10-6-7-11-21/h8-9,14H,6-7,10-13H2,1-5H3
InChIKey
GPJCUTCKCFKBKS-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-(2-pyrrolidin-1-ylethoxy)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 182.3
[M+Na]+ 357.21487 190.7
[M+NH4]+ 352.25947 188.2
[M+K]+ 373.18881 187.8
[M-H]- 333.21837 184.1
[M+Na-2H]- 355.20032 186.3
[M]+ 334.22510 183.7
[M]- 334.22620 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.