CID 59901

104946-78-3

Structural Information

Molecular Formula
C20H24ClN3O2S
SMILES
CC1=C(C=CC(=C1)Cl)N=CN(C)SCNC(=O)OC2=CC=CC(=C2)C(C)C
InChI
InChI=1S/C20H24ClN3O2S/c1-14(2)16-6-5-7-18(11-16)26-20(25)23-13-27-24(4)12-22-19-9-8-17(21)10-15(19)3/h5-12,14H,13H2,1-4H3,(H,23,25)
InChIKey
MBIQQXANVFPOHW-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12778 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13506 197.7
[M+Na]+ 428.11700 202.9
[M-H]- 404.12050 206.6
[M+NH4]+ 423.16160 210.4
[M+K]+ 444.09094 198.2
[M+H-H2O]+ 388.12504 189.0
[M+HCOO]- 450.12598 213.9
[M+CH3COO]- 464.14163 233.4
[M+Na-2H]- 426.10245 196.5
[M]+ 405.12723 205.4
[M]- 405.12833 205.4
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.