CID 100701

77261-23-5

Structural Information

Molecular Formula
C19H22N2O4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCOCC3
InChI
InChI=1S/C19H22N2O4S/c1-2-25-19(23)17-15(14-6-4-3-5-7-14)13-26-18(17)20-16(22)12-21-8-10-24-11-9-21/h3-7,13H,2,8-12H2,1H3,(H,20,22)
InChIKey
VJSNJTCZGZCJSC-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13004 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13732 186.8
[M+Na]+ 397.11926 196.4
[M+NH4]+ 392.16386 193.1
[M+K]+ 413.09320 191.0
[M-H]- 373.12276 192.1
[M+Na-2H]- 395.10471 192.0
[M]+ 374.12949 189.8
[M]- 374.13059 189.8
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.