CID 3086927

Suam 1294

Structural Information

Molecular Formula
C22H30N2O3
SMILES
C=CCC1=CC=CC=C1OCCCC(=O)N2CCC[C@H]2C(=O)N3CCCC3
InChI
InChI=1S/C22H30N2O3/c1-2-9-18-10-3-4-12-20(18)27-17-8-13-21(25)24-16-7-11-19(24)22(26)23-14-5-6-15-23/h2-4,10,12,19H,1,5-9,11,13-17H2/t19-/m0/s1
InChIKey
HRGBAUYWLKSHHG-IBGZPJMESA-N
Compound name
4-(2-prop-2-enylphenoxy)-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

370.22565 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 193.9
[M+Na]+ 393.21487 201.6
[M+NH4]+ 388.25947 199.0
[M+K]+ 409.18881 199.0
[M-H]- 369.21837 195.6
[M+Na-2H]- 391.20032 196.7
[M]+ 370.22510 194.9
[M]- 370.22620 194.9
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