CID 2856288

Smr000069935

Structural Information

Molecular Formula
C19H24N2O4
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C19H24N2O4/c1-25-19(24)15-9-5-6-10-16(15)20-18(23)13-11-17(22)21(12-13)14-7-3-2-4-8-14/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H,20,23)
InChIKey
VIYKYWUXWQBAPZ-UHFFFAOYSA-N
Compound name
methyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

344.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 181.5
[M+Na]+ 367.16282 183.6
[M-H]- 343.16632 188.6
[M+NH4]+ 362.20742 193.8
[M+K]+ 383.13676 180.7
[M+H-H2O]+ 327.17086 172.3
[M+HCOO]- 389.17180 198.1
[M+CH3COO]- 403.18745 212.2
[M+Na-2H]- 365.14827 178.1
[M]+ 344.17305 176.5
[M]- 344.17415 176.5
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.