CID 15954825

Schembl6811159

Structural Information

Molecular Formula
C22H29ClN4OS
SMILES
CCCCCCN(C)C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C22H29ClN4OS/c1-4-5-6-7-14-27(3)21-13-12-19(15-20(21)23)26-22(29)25-18-10-8-17(9-11-18)24-16(2)28/h8-13,15H,4-7,14H2,1-3H3,(H,24,28)(H2,25,26,29)
InChIKey
XBESGIDESYTIAS-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-[hexyl(methyl)amino]phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

432.17505 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18233 206.4
[M+Na]+ 455.16427 209.6
[M-H]- 431.16777 213.3
[M+NH4]+ 450.20887 216.9
[M+K]+ 471.13821 203.1
[M+H-H2O]+ 415.17231 197.5
[M+HCOO]- 477.17325 221.1
[M+CH3COO]- 491.18890 240.0
[M+Na-2H]- 453.14972 204.4
[M]+ 432.17450 210.8
[M]- 432.17560 210.8
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

patents stripe