CID 15955725

Schembl6819755

Structural Information

Molecular Formula
C22H19Cl2N3O3S
SMILES
COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C(=C3)Cl)OC)Cl
InChI
InChI=1S/C22H19Cl2N3O3S/c1-29-17-5-3-4-13(10-17)21(28)25-14-6-8-15(9-7-14)26-22(31)27-16-11-18(23)20(30-2)19(24)12-16/h3-12H,1-2H3,(H,25,28)(H2,26,27,31)
InChIKey
QZCTVLLJPJMUNQ-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-4-methoxyphenyl)carbamothioylamino]phenyl]-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

475.05243 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.05971 207.7
[M+Na]+ 498.04165 214.6
[M-H]- 474.04515 217.0
[M+NH4]+ 493.08625 216.8
[M+K]+ 514.01559 207.3
[M+H-H2O]+ 458.04969 199.9
[M+HCOO]- 520.05063 218.1
[M+CH3COO]- 534.06628 238.1
[M+Na-2H]- 496.02710 207.1
[M]+ 475.05188 214.5
[M]- 475.05298 214.5
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