CID 473928

178979-09-4

Structural Information

Molecular Formula
C20H21ClN2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC2=CC=CC=C2)SC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H21ClN2OS/c1-14(2)19-20(25-17-10-6-9-16(21)11-17)23(18(13-24)22-19)12-15-7-4-3-5-8-15/h3-11,14,24H,12-13H2,1-2H3
InChIKey
JHDSXLOTPFAJDJ-UHFFFAOYSA-N
Compound name
[1-benzyl-5-(3-chlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

372.10632 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11360 186.7
[M+Na]+ 395.09554 196.1
[M-H]- 371.09904 193.3
[M+NH4]+ 390.14014 199.3
[M+K]+ 411.06948 188.1
[M+H-H2O]+ 355.10358 178.5
[M+HCOO]- 417.10452 196.9
[M+CH3COO]- 431.12017 196.8
[M+Na-2H]- 393.08099 183.8
[M]+ 372.10577 192.2
[M]- 372.10687 192.2
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