CID 3077118

2-thiophenecarboxamide, 5-methyl-4-nitro-n-(3-(1-pyrrolidinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H19N3O3S
SMILES
CC1=C(C=C(S1)C(=O)NCCCN2CCCC2)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O3S/c1-10-11(16(18)19)9-12(20-10)13(17)14-5-4-8-15-6-2-3-7-15/h9H,2-8H2,1H3,(H,14,17)
InChIKey
LDDPCGJIZMOKMV-UHFFFAOYSA-N
Compound name
5-methyl-4-nitro-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11472 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12200 166.7
[M+Na]+ 320.10394 174.0
[M+NH4]+ 315.14854 173.3
[M+K]+ 336.07788 173.5
[M-H]- 296.10744 169.5
[M+Na-2H]- 318.08939 169.3
[M]+ 297.11417 168.4
[M]- 297.11527 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.