CID 9822185

Schembl6819100

Structural Information

Molecular Formula
C17H17Cl2N3O2S
SMILES
CC1=C(C=C(C(=C1Cl)OC)NC(=S)NC2=CC=C(C=C2)NC(=O)C)Cl
InChI
InChI=1S/C17H17Cl2N3O2S/c1-9-13(18)8-14(16(24-3)15(9)19)22-17(25)21-12-6-4-11(5-7-12)20-10(2)23/h4-8H,1-3H3,(H,20,23)(H2,21,22,25)
InChIKey
VKRIDLBUERBZTO-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dichloro-2-methoxy-4-methylphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

397.04184 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.04912 189.4
[M+Na]+ 420.03106 197.3
[M-H]- 396.03456 196.1
[M+NH4]+ 415.07566 202.3
[M+K]+ 436.00500 190.3
[M+H-H2O]+ 380.03910 183.5
[M+HCOO]- 442.04004 199.7
[M+CH3COO]- 456.05569 225.6
[M+Na-2H]- 418.01651 188.0
[M]+ 397.04129 195.1
[M]- 397.04239 195.1
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