CID 24845413

93798-98-2

Structural Information

Molecular Formula
C17H29N3OS
SMILES
CC1(CC(C(N1)(C)C)C(=O)NCCCNCC2=CSC=C2)C
InChI
InChI=1S/C17H29N3OS/c1-16(2)10-14(17(3,4)20-16)15(21)19-8-5-7-18-11-13-6-9-22-12-13/h6,9,12,14,18,20H,5,7-8,10-11H2,1-4H3,(H,19,21)
InChIKey
RZPADZMNLDKMFD-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(thiophen-3-ylmethylamino)propyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.20312 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21040 174.9
[M+Na]+ 346.19234 179.8
[M-H]- 322.19584 178.6
[M+NH4]+ 341.23694 194.7
[M+K]+ 362.16628 175.5
[M+H-H2O]+ 306.20038 169.4
[M+HCOO]- 368.20132 190.5
[M+CH3COO]- 382.21697 208.3
[M+Na-2H]- 344.17779 173.7
[M]+ 323.20257 175.3
[M]- 323.20367 175.3
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.