CID 50162

68384-66-7

Structural Information

Molecular Formula
C14H25N3O4
SMILES
CCNC(=O)OCCC1C(=CCN1C)COC(=O)NCC
InChI
InChI=1S/C14H25N3O4/c1-4-15-13(18)20-9-7-12-11(6-8-17(12)3)10-21-14(19)16-5-2/h6,12H,4-5,7-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKey
NDGRGJFGBCEGFN-UHFFFAOYSA-N
Compound name
2-[3-(ethylcarbamoyloxymethyl)-1-methyl-2,5-dihydropyrrol-2-yl]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1845 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19178 172.3
[M+Na]+ 322.17372 176.3
[M-H]- 298.17722 174.0
[M+NH4]+ 317.21832 187.5
[M+K]+ 338.14766 175.6
[M+H-H2O]+ 282.18176 164.3
[M+HCOO]- 344.18270 194.5
[M+CH3COO]- 358.19835 207.3
[M+Na-2H]- 320.15917 171.8
[M]+ 299.18395 175.7
[M]- 299.18505 175.7
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.