CID 59164837

(s)-methyl 5-(4-(benzyloxy)phenyl)-3,4-dihydro-2h-pyrrole-2-carboxylate

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 172.7
[M+Na]+ 332.12572 178.8
[M-H]- 308.12922 180.9
[M+NH4]+ 327.17032 187.2
[M+K]+ 348.09966 175.0
[M+H-H2O]+ 292.13376 163.3
[M+HCOO]- 354.13470 194.5
[M+CH3COO]- 368.15035 203.4
[M+Na-2H]- 330.11117 174.1
[M]+ 309.13595 174.2
[M]- 309.13705 174.2
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.