CID 3064742

Brn 5654169

Structural Information

Molecular Formula
C20H29N3O6S
SMILES
CCOC(=O)C1=C(SC(=C1C)CC(=O)N2CCOCC2)NC(=O)CN3CCOCC3
InChI
InChI=1S/C20H29N3O6S/c1-3-29-20(26)18-14(2)15(12-17(25)23-6-10-28-11-7-23)30-19(18)21-16(24)13-22-4-8-27-9-5-22/h3-13H2,1-2H3,(H,21,24)
InChIKey
LMUALEASFZSFNV-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-[(2-morpholin-4-ylacetyl)amino]-5-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1777 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18498 204.6
[M+Na]+ 462.16692 205.3
[M-H]- 438.17042 211.2
[M+NH4]+ 457.21152 209.7
[M+K]+ 478.14086 205.2
[M+H-H2O]+ 422.17496 195.8
[M+HCOO]- 484.17590 211.3
[M+CH3COO]- 498.19155 227.3
[M+Na-2H]- 460.15237 198.9
[M]+ 439.17715 205.0
[M]- 439.17825 205.0
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.