CID 15954858

Schembl6811259

Structural Information

Molecular Formula
C17H19ClN4OS
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)N(C)C)Cl
InChI
InChI=1S/C17H19ClN4OS/c1-11(23)19-12-4-6-13(7-5-12)20-17(24)21-14-8-9-16(22(2)3)15(18)10-14/h4-10H,1-3H3,(H,19,23)(H2,20,21,24)
InChIKey
DIIVMKYDRTUBBU-UHFFFAOYSA-N
Compound name
N-[4-[[3-chloro-4-(dimethylamino)phenyl]carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

362.0968 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10408 185.1
[M+Na]+ 385.08602 190.6
[M-H]- 361.08952 193.0
[M+NH4]+ 380.13062 198.6
[M+K]+ 401.05996 185.1
[M+H-H2O]+ 345.09406 177.2
[M+HCOO]- 407.09500 201.5
[M+CH3COO]- 421.11065 225.4
[M+Na-2H]- 383.07147 185.4
[M]+ 362.09625 187.9
[M]- 362.09735 187.9
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