CID 3086926

Suam 1378

Structural Information

Molecular Formula
C19H26N2O3
SMILES
C1CCN(C1)C(=O)[C@@H]2CCCN2C(=O)CCCOC3=CC=CC=C3
InChI
InChI=1S/C19H26N2O3/c22-18(11-7-15-24-16-8-2-1-3-9-16)21-14-6-10-17(21)19(23)20-12-4-5-13-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
InChIKey
KGTWXSOBAHSHJI-KRWDZBQOSA-N
Compound name
4-phenoxy-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.19434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 181.8
[M+Na]+ 353.18356 183.7
[M-H]- 329.18706 187.4
[M+NH4]+ 348.22816 195.2
[M+K]+ 369.15750 180.8
[M+H-H2O]+ 313.19160 172.1
[M+HCOO]- 375.19254 198.0
[M+CH3COO]- 389.20819 205.5
[M+Na-2H]- 351.16901 177.1
[M]+ 330.19379 178.7
[M]- 330.19489 178.7
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

patents stripe