CID 15955702

Schembl6816217

Structural Information

Molecular Formula
C23H22ClN3O2S
SMILES
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=C(C(=C3)Cl)C)OC
InChI
InChI=1S/C23H22ClN3O2S/c1-14-6-4-5-7-18(14)22(28)25-16-8-10-17(11-9-16)26-23(30)27-20-13-19(24)15(2)12-21(20)29-3/h4-13H,1-3H3,(H,25,28)(H2,26,27,30)
InChIKey
FJIGHNLIEIJPIO-UHFFFAOYSA-N
Compound name
N-[4-[(5-chloro-2-methoxy-4-methylphenyl)carbamothioylamino]phenyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

439.11212 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.11940 204.8
[M+Na]+ 462.10134 211.2
[M-H]- 438.10484 214.5
[M+NH4]+ 457.14594 214.8
[M+K]+ 478.07528 203.7
[M+H-H2O]+ 422.10938 195.9
[M+HCOO]- 484.11032 219.4
[M+CH3COO]- 498.12597 235.3
[M+Na-2H]- 460.08679 203.9
[M]+ 439.11157 208.9
[M]- 439.11267 208.9
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