CID 3086928

Suam 1300

Structural Information

Molecular Formula
C22H30N2O3
SMILES
C=CCOC1=CC=CC=C1CCCC(=O)N2CCC[C@H]2C(=O)N3CCCC3
InChI
InChI=1S/C22H30N2O3/c1-2-17-27-20-12-4-3-9-18(20)10-7-13-21(25)24-16-8-11-19(24)22(26)23-14-5-6-15-23/h2-4,9,12,19H,1,5-8,10-11,13-17H2/t19-/m0/s1
InChIKey
XFPMCLBUFPKNTM-IBGZPJMESA-N
Compound name
4-(2-prop-2-enoxyphenyl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.22565 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 194.0
[M+Na]+ 393.21487 195.8
[M-H]- 369.21837 199.6
[M+NH4]+ 388.25947 206.1
[M+K]+ 409.18881 191.7
[M+H-H2O]+ 353.22291 184.2
[M+HCOO]- 415.22385 209.4
[M+CH3COO]- 429.23950 214.7
[M+Na-2H]- 391.20032 187.2
[M]+ 370.22510 191.7
[M]- 370.22620 191.7
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