CID 24845411

93798-94-8

Structural Information

Molecular Formula
C17H29N3OS
SMILES
CC1(CC(C(N1)(C)C)C(=O)NCCCNCC2=CC=CS2)C
InChI
InChI=1S/C17H29N3OS/c1-16(2)11-14(17(3,4)20-16)15(21)19-9-6-8-18-12-13-7-5-10-22-13/h5,7,10,14,18,20H,6,8-9,11-12H2,1-4H3,(H,19,21)
InChIKey
HXSYDKSHGHWJKW-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(thiophen-2-ylmethylamino)propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.20312 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21040 176.7
[M+Na]+ 346.19234 182.2
[M+NH4]+ 341.23694 185.9
[M+K]+ 362.16628 174.8
[M-H]- 322.19584 178.5
[M+Na-2H]- 344.17779 182.2
[M]+ 323.20257 178.3
[M]- 323.20367 178.3
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.