CID 42298

2,5-dihydro-4-methoxy-1-methyl-1h-pyrrole-2,3-dimethanol bis(ethylcarbamate)

Structural Information

Molecular Formula
C14H25N3O5
SMILES
CCNC(=O)OCC1C(=C(CN1C)OC)COC(=O)NCC
InChI
InChI=1S/C14H25N3O5/c1-5-15-13(18)21-8-10-11(9-22-14(19)16-6-2)17(3)7-12(10)20-4/h11H,5-9H2,1-4H3,(H,15,18)(H,16,19)
InChIKey
JPMMFGYRFGUBKH-UHFFFAOYSA-N
Compound name
[3-(ethylcarbamoyloxymethyl)-4-methoxy-1-methyl-2,5-dihydropyrrol-2-yl]methyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1794 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18668 175.4
[M+Na]+ 338.16862 180.6
[M+NH4]+ 333.21322 178.7
[M+K]+ 354.14256 179.7
[M-H]- 314.17212 173.6
[M+Na-2H]- 336.15407 175.0
[M]+ 315.17885 174.8
[M]- 315.17995 174.8
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.