CID 3077970

Brn 4764188

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCCCCCCCOC1CCC(=O)N1CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H28N2O4/c1-2-3-4-5-6-7-13-25-19-12-11-18(22)20(19)15-16-9-8-10-17(14-16)21(23)24/h8-10,14,19H,2-7,11-13,15H2,1H3
InChIKey
UGQWFWRACSQTTM-UHFFFAOYSA-N
Compound name
1-[(3-nitrophenyl)methyl]-5-octoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.2049 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 185.5
[M+Na]+ 371.19412 195.8
[M+NH4]+ 366.23872 191.3
[M+K]+ 387.16806 193.0
[M-H]- 347.19762 188.4
[M+Na-2H]- 369.17957 188.7
[M]+ 348.20435 187.4
[M]- 348.20545 187.4
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

patents stripe