CID 24845389

102132-39-8

Structural Information

Molecular Formula
C22H35N3O2
SMILES
CC1(CC(C(N1)(C)C)C(=O)NCCCNCC2=CC=CC=C2OCC=C)C
InChI
InChI=1S/C22H35N3O2/c1-6-14-27-19-11-8-7-10-17(19)16-23-12-9-13-24-20(26)18-15-21(2,3)25-22(18,4)5/h6-8,10-11,18,23,25H,1,9,12-16H2,2-5H3,(H,24,26)
InChIKey
BZLPQOVSYSSJPA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(2-prop-2-enoxyphenyl)methylamino]propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.27292 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28020 191.4
[M+Na]+ 396.26214 195.1
[M-H]- 372.26564 194.5
[M+NH4]+ 391.30674 206.8
[M+K]+ 412.23608 190.1
[M+H-H2O]+ 356.27018 184.2
[M+HCOO]- 418.27112 210.1
[M+CH3COO]- 432.28677 222.0
[M+Na-2H]- 394.24759 191.2
[M]+ 373.27237 191.2
[M]- 373.27347 191.2
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.