CID 474087

Schembl6974526

Structural Information

Molecular Formula
C23H26Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CCOCC2=CC=CC=C2)CCO)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C23H26Cl2N2O2S/c1-16(2)22-23(30-20-13-18(24)12-19(25)14-20)27(9-10-28)21(26-22)8-11-29-15-17-6-4-3-5-7-17/h3-7,12-14,16,28H,8-11,15H2,1-2H3
InChIKey
UYNIVEQCVAWZRU-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-2-(2-phenylmethoxyethyl)-4-propan-2-ylimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

464.1092 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11648 207.2
[M+Na]+ 487.09842 215.8
[M-H]- 463.10192 212.8
[M+NH4]+ 482.14302 216.6
[M+K]+ 503.07236 207.2
[M+H-H2O]+ 447.10646 198.8
[M+HCOO]- 509.10740 211.4
[M+CH3COO]- 523.12305 228.5
[M+Na-2H]- 485.08387 201.7
[M]+ 464.10865 216.4
[M]- 464.10975 216.4
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

patents stripe