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 210.0
[M+Na]+ 493.18802 209.0
[M-H]- 469.19152 218.2
[M+NH4]+ 488.23262 210.6
[M+K]+ 509.16196 206.0
[M+H-H2O]+ 453.19606 197.7
[M+HCOO]- 515.19700 217.2
[M+CH3COO]- 529.21265 214.4
[M+Na-2H]- 491.17347 209.5
[M]+ 470.19825 205.3
[M]- 470.19935 205.3
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.