CID 3077114

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

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CC1=C(C=C(S1)C(=O)NCCN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O3S/c1-7-8(13(15)16)6-9(17-7)10(14)11-4-5-12(2)3/h6H,4-5H2,1-3H3,(H,11,14)
InChIKey
STAICVYVVDGMGK-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.0834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 156.7
[M+Na]+ 280.07262 162.1
[M-H]- 256.07612 161.8
[M+NH4]+ 275.11722 175.0
[M+K]+ 296.04656 156.8
[M+H-H2O]+ 240.08066 154.3
[M+HCOO]- 302.08160 178.8
[M+CH3COO]- 316.09725 195.9
[M+Na-2H]- 278.05807 158.4
[M]+ 257.08285 158.3
[M]- 257.08395 158.3
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.