CID 5270996

Schembl7678387

Structural Information

Molecular Formula
C19H19ClN2OS
SMILES
CN(CCO)CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H19ClN2OS/c1-22(10-11-23)12-14-2-4-15(5-3-14)18-13-24-19(21-18)16-6-8-17(20)9-7-16/h2-9,13,23H,10-12H2,1H3
InChIKey
HYXUEISKKFOQOH-UHFFFAOYSA-N
Compound name
2-[[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methyl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.09067 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09795 183.2
[M+Na]+ 381.07989 191.7
[M-H]- 357.08339 192.1
[M+NH4]+ 376.12449 197.7
[M+K]+ 397.05383 184.7
[M+H-H2O]+ 341.08793 175.0
[M+HCOO]- 403.08887 197.4
[M+CH3COO]- 417.10452 194.0
[M+Na-2H]- 379.06534 182.5
[M]+ 358.09012 188.6
[M]- 358.09122 188.6
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