CID 15954866

Schembl6815156

Structural Information

Molecular Formula
C19H22ClN3O5S
SMILES
CC(=O)NC1=CC(=C(C=C1OC)NC(=S)NC2=CC(=C(C=C2OC)OC)Cl)OC
InChI
InChI=1S/C19H22ClN3O5S/c1-10(24)21-13-7-17(27-4)14(8-16(13)26-3)23-19(29)22-12-6-11(20)15(25-2)9-18(12)28-5/h6-9H,1-5H3,(H,21,24)(H2,22,23,29)
InChIKey
RGITYOKYWDJAOG-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2,5-dimethoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

439.09686 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.10414 200.5
[M+Na]+ 462.08608 207.1
[M-H]- 438.08958 207.7
[M+NH4]+ 457.13068 210.9
[M+K]+ 478.06002 203.0
[M+H-H2O]+ 422.09412 192.6
[M+HCOO]- 484.09506 215.6
[M+CH3COO]- 498.11071 235.6
[M+Na-2H]- 460.07153 198.9
[M]+ 439.09631 210.1
[M]- 439.09741 210.1
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