CID 3050528

Brn 1189879

Structural Information

Molecular Formula
C24H30N4O4S
SMILES
C1COCCN1CC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)NC(=O)CN4CCOCC4
InChI
InChI=1S/C24H30N4O4S/c29-23(17-27-9-13-31-14-10-27)25-19-1-5-21(6-2-19)33-22-7-3-20(4-8-22)26-24(30)18-28-11-15-32-16-12-28/h1-8H,9-18H2,(H,25,29)(H,26,30)
InChIKey
VTGLXNWNUDNWPP-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-[4-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1988 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20608 209.3
[M+Na]+ 493.18802 218.8
[M+NH4]+ 488.23262 214.4
[M+K]+ 509.16196 211.3
[M-H]- 469.19152 218.1
[M+Na-2H]- 491.17347 215.5
[M]+ 470.19825 213.2
[M]- 470.19935 213.2
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.