CID 15954922

Schembl6814656

Structural Information

Molecular Formula
C20H24ClN3O3S
SMILES
CCCCOC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl)OC
InChI
InChI=1S/C20H24ClN3O3S/c1-4-5-10-27-19-12-18(26-3)16(21)11-17(19)24-20(28)23-15-8-6-14(7-9-15)22-13(2)25/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,25)(H2,23,24,28)
InChIKey
WWDFLIRLZSYWHG-UHFFFAOYSA-N
Compound name
N-[4-[(2-butoxy-5-chloro-4-methoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

421.12268 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12996 199.3
[M+Na]+ 444.11190 204.5
[M-H]- 420.11540 205.6
[M+NH4]+ 439.15650 210.1
[M+K]+ 460.08584 198.4
[M+H-H2O]+ 404.11994 191.2
[M+HCOO]- 466.12088 213.7
[M+CH3COO]- 480.13653 231.4
[M+Na-2H]- 442.09735 198.0
[M]+ 421.12213 205.6
[M]- 421.12323 205.6
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