CID 473985

2-aminomethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(2,2,2-trifluoroethyl)-1h-imidazole

Structural Information

Molecular Formula
C15H16Cl2F3N3S
SMILES
CC(C)C1=C(N(C(=N1)CN)CC(F)(F)F)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2F3N3S/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)23(7-15(18,19)20)12(6-21)22-13/h3-5,8H,6-7,21H2,1-2H3
InChIKey
ITARSSHGWABBBM-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

397.0394 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.04668 183.3
[M+Na]+ 420.02862 194.3
[M-H]- 396.03212 183.6
[M+NH4]+ 415.07322 196.1
[M+K]+ 436.00256 185.9
[M+H-H2O]+ 380.03666 174.4
[M+HCOO]- 442.03760 185.4
[M+CH3COO]- 456.05325 220.1
[M+Na-2H]- 418.01407 178.4
[M]+ 397.03885 185.8
[M]- 397.03995 185.8
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.