CID 2872838

471917-72-3

Structural Information

Molecular Formula
C23H27N3O4S
SMILES
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=C(N3)C=C(C(=C4)C)C
InChI
InChI=1S/C23H27N3O4S/c1-4-30-23(29)20-14-7-5-6-8-18(14)31-22(20)26-19(27)11-17-21(28)25-16-10-13(3)12(2)9-15(16)24-17/h9-10,17,24H,4-8,11H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
ZGGYTHXENFBLNN-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.17224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17952 204.2
[M+Na]+ 464.16146 212.6
[M+NH4]+ 459.20606 209.3
[M+K]+ 480.13540 207.3
[M-H]- 440.16496 205.5
[M+Na-2H]- 462.14691 204.5
[M]+ 441.17169 205.7
[M]- 441.17279 205.7
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.