CID 15954853

Schembl6814572

Structural Information

Molecular Formula
C20H23ClN4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2N3CCOCC3)OC)Cl
InChI
InChI=1S/C20H23ClN4O3S/c1-13(26)22-14-3-5-15(6-4-14)23-20(29)24-17-11-16(21)19(27-2)12-18(17)25-7-9-28-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H2,23,24,29)
InChIKey
XPVABVFSBQYVBH-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-4-methoxy-2-morpholin-4-ylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

434.11795 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12523 202.0
[M+Na]+ 457.10717 206.0
[M-H]- 433.11067 210.2
[M+NH4]+ 452.15177 209.1
[M+K]+ 473.08111 201.0
[M+H-H2O]+ 417.11521 192.7
[M+HCOO]- 479.11615 211.7
[M+CH3COO]- 493.13180 231.6
[M+Na-2H]- 455.09262 201.7
[M]+ 434.11740 203.0
[M]- 434.11850 203.0
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

patents stripe