CID 24845296

93798-93-7

Structural Information

Molecular Formula
C18H29N3OS
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCCNCC2=CC=CS2)C
InChI
InChI=1S/C18H29N3OS/c1-17(2)12-15(18(3,4)21-17)16(22)20-10-6-5-9-19-13-14-8-7-11-23-14/h7-8,11-12,19,21H,5-6,9-10,13H2,1-4H3,(H,20,22)
InChIKey
WMAUIHUMGNUCEJ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[4-(thiophen-2-ylmethylamino)butyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.20312 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21040 177.8
[M+Na]+ 358.19234 183.3
[M-H]- 334.19584 181.8
[M+NH4]+ 353.23694 197.3
[M+K]+ 374.16628 178.6
[M+H-H2O]+ 318.20038 172.1
[M+HCOO]- 380.20132 194.6
[M+CH3COO]- 394.21697 210.8
[M+Na-2H]- 356.17779 177.1
[M]+ 335.20257 180.0
[M]- 335.20367 180.0
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.