CID 169471

32766-79-3

Structural Information

Molecular Formula
C13H23N3O4
SMILES
CCNC(=O)OCC1C(=CCN1C)COC(=O)NCC
InChI
InChI=1S/C13H23N3O4/c1-4-14-12(17)19-8-10-6-7-16(3)11(10)9-20-13(18)15-5-2/h6,11H,4-5,7-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKey
NZCFZZYGXWNZAO-UHFFFAOYSA-N
Compound name
[3-(ethylcarbamoyloxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]methyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.16885 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.17613 167.8
[M+Na]+ 308.15807 172.3
[M-H]- 284.16157 169.6
[M+NH4]+ 303.20267 183.6
[M+K]+ 324.13201 171.7
[M+H-H2O]+ 268.16611 160.0
[M+HCOO]- 330.16705 190.3
[M+CH3COO]- 344.18270 204.3
[M+Na-2H]- 306.14352 167.8
[M]+ 285.16830 170.8
[M]- 285.16940 170.8
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

No patent data available for this compound.