CID 14306908

93823-69-9

Structural Information

Molecular Formula
C20H29N3O2S
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)CSC2=CC=CC=C2)C
InChI
InChI=1S/C20H29N3O2S/c1-19(2)13-16(20(3,4)23-19)18(25)22-12-8-11-21-17(24)14-26-15-9-6-5-7-10-15/h5-7,9-10,13,23H,8,11-12,14H2,1-4H3,(H,21,24)(H,22,25)
InChIKey
SHEOQKBZJAVNKY-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[(2-phenylsulfanylacetyl)amino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.19806 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20534 188.3
[M+Na]+ 398.18728 192.7
[M-H]- 374.19078 191.6
[M+NH4]+ 393.23188 204.0
[M+K]+ 414.16122 187.7
[M+H-H2O]+ 358.19532 181.7
[M+HCOO]- 420.19626 202.9
[M+CH3COO]- 434.21191 218.2
[M+Na-2H]- 396.17273 187.9
[M]+ 375.19751 190.2
[M]- 375.19861 190.2
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.