CID 41403

55311-62-1

Structural Information

Molecular Formula
C16H17ClN2S
SMILES
CC1=CC(=C(C=C1)N=CN(C)SC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C16H17ClN2S/c1-12-4-9-16(13(2)10-12)18-11-19(3)20-15-7-5-14(17)6-8-15/h4-11H,1-3H3
InChIKey
MZTDHAJDLGWQMR-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)sulfanyl-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.0801 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08738 169.3
[M+Na]+ 327.06932 178.0
[M-H]- 303.07282 179.0
[M+NH4]+ 322.11392 186.9
[M+K]+ 343.04326 172.4
[M+H-H2O]+ 287.07736 161.8
[M+HCOO]- 349.07830 187.3
[M+CH3COO]- 363.09395 212.9
[M+Na-2H]- 325.05477 171.2
[M]+ 304.07955 175.5
[M]- 304.08065 175.5
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