CID 2814376

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C21H27N3O3S
SMILES
CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKey
PGLUPFDXMXYLKD-UHFFFAOYSA-N
Compound name
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

401.1773 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.184576 196.7
[M+Na]+ 424.166518 201.1
[M-H]- 400.170024 203.3
[M+NH4]+ 419.211123 206.8
[M+K]+ 440.140458 196.4
[M+H-H2O]+ 384.174560 187.3
[M+HCOO]- 446.175501 209.1
[M+CH3COO]- 460.191151 223.8
[M+Na-2H]- 422.151966 191.6
[M]+ 401.17675142 198.2
[M]- 401.17784858 198.2
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.