CID 5270990

Schembl7669493

Structural Information

Molecular Formula
C20H19ClN2S
SMILES
CN(CC=C)CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H19ClN2S/c1-3-12-23(2)13-15-4-6-16(7-5-15)19-14-24-20(22-19)17-8-10-18(21)11-9-17/h3-11,14H,1,12-13H2,2H3
InChIKey
MHQTZFUQHKOSQH-UHFFFAOYSA-N
Compound name
N-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.09573 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10301 184.6
[M+Na]+ 377.08495 193.7
[M-H]- 353.08845 194.7
[M+NH4]+ 372.12955 200.0
[M+K]+ 393.05889 186.0
[M+H-H2O]+ 337.09299 176.0
[M+HCOO]- 399.09393 199.9
[M+CH3COO]- 413.10958 195.9
[M+Na-2H]- 375.07040 183.4
[M]+ 354.09518 190.1
[M]- 354.09628 190.1
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

No patent data available for this compound.