CID 59164837

934240-38-7

Structural Information

Molecular Formula
C19H19NO3
SMILES
COC(=O)[C@@H]1CCC(=N1)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H19NO3/c1-22-19(21)18-12-11-17(20-18)15-7-9-16(10-8-15)23-13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3/t18-/m0/s1
InChIKey
NIFDPVFMBJUPOR-SFHVURJKSA-N
Compound name
methyl (2S)-5-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

309.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 173.8
[M+Na]+ 332.12572 187.5
[M+NH4]+ 327.17032 181.5
[M+K]+ 348.09966 181.6
[M-H]- 308.12922 178.8
[M+Na-2H]- 330.11117 182.8
[M]+ 309.13595 177.1
[M]- 309.13705 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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