CID 3003712

Cl-253824

Structural Information

Molecular Formula
C16H15Cl2N3O3S
SMILES
COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)NC=O)Cl)Cl)OC
InChI
InChI=1S/C16H15Cl2N3O3S/c1-23-14-7-15(24-2)13(6-11(14)18)21-16(25)20-12-4-3-9(19-8-22)5-10(12)17/h3-8H,1-2H3,(H,19,22)(H2,20,21,25)
InChIKey
VFHRETBWOOACPU-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.02112 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02840 187.4
[M+Na]+ 422.01034 195.8
[M-H]- 398.01384 194.2
[M+NH4]+ 417.05494 200.1
[M+K]+ 437.98428 189.0
[M+H-H2O]+ 382.01838 181.3
[M+HCOO]- 444.01932 199.2
[M+CH3COO]- 458.03497 224.6
[M+Na-2H]- 419.99579 187.7
[M]+ 399.02057 194.7
[M]- 399.02167 194.7
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.