CID 3077116

2-thiophenecarboxamide, 5-methyl-n-(2-(4-morpholinyl)ethyl)-4-nitro-, monohydrochloride

Structural Information

Molecular Formula
C12H17N3O4S
SMILES
CC1=C(C=C(S1)C(=O)NCCN2CCOCC2)[N+](=O)[O-]
InChI
InChI=1S/C12H17N3O4S/c1-9-10(15(17)18)8-11(20-9)12(16)13-2-3-14-4-6-19-7-5-14/h8H,2-7H2,1H3,(H,13,16)
InChIKey
UDAVZTVQRAQODF-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-morpholin-4-ylethyl)-4-nitrothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.09396 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10124 163.9
[M+Na]+ 322.08318 172.5
[M+NH4]+ 317.12778 170.3
[M+K]+ 338.05712 171.0
[M-H]- 298.08668 168.3
[M+Na-2H]- 320.06863 166.9
[M]+ 299.09341 166.3
[M]- 299.09451 166.3
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.