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 174.1
[M+Na]+ 338.16862 178.8
[M-H]- 314.17212 176.1
[M+NH4]+ 333.21322 188.8
[M+K]+ 354.14256 178.7
[M+H-H2O]+ 298.17666 166.3
[M+HCOO]- 360.17760 196.4
[M+CH3COO]- 374.19325 210.8
[M+Na-2H]- 336.15407 173.2
[M]+ 315.17885 179.3
[M]- 315.17995 179.3
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.