CID 36507

O-methylcarbanilic acid n-ethyl-3-pyrrolidinyl ester oxalate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCN1CCC(C1)OC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C14H20N2O2/c1-3-16-9-8-12(10-16)18-14(17)15-13-7-5-4-6-11(13)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
InChIKey
KDMBKBOAWFRFMR-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.4
[M+Na]+ 271.14170 169.4
[M+NH4]+ 266.18630 166.7
[M+K]+ 287.11564 165.2
[M-H]- 247.14520 162.1
[M+Na-2H]- 269.12715 164.7
[M]+ 248.15193 161.3
[M]- 248.15303 161.3
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.