CID 15954826

Schembl6816198

Structural Information

Molecular Formula
C20H25ClN4OS
SMILES
CC(C)CN(C)C1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C20H25ClN4OS/c1-13(2)12-25(4)19-10-9-17(11-18(19)21)24-20(27)23-16-7-5-15(6-8-16)22-14(3)26/h5-11,13H,12H2,1-4H3,(H,22,26)(H2,23,24,27)
InChIKey
LJLKEZNGPHGUJT-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-[methyl(2-methylpropyl)amino]phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

404.14377 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15105 198.1
[M+Na]+ 427.13299 201.9
[M-H]- 403.13649 205.5
[M+NH4]+ 422.17759 209.7
[M+K]+ 443.10693 196.5
[M+H-H2O]+ 387.14103 189.8
[M+HCOO]- 449.14197 212.5
[M+CH3COO]- 463.15762 235.1
[M+Na-2H]- 425.11844 196.0
[M]+ 404.14322 201.4
[M]- 404.14432 201.4
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.