CID 3068980

84138-32-9

Structural Information

Molecular Formula
C18H15ClN4OS
SMILES
C1=CC=C2C(=C1)N=C(N2CNC3=NC=CS3)COC4=CC=CC=C4Cl
InChI
InChI=1S/C18H15ClN4OS/c19-13-5-1-4-8-16(13)24-11-17-22-14-6-2-3-7-15(14)23(17)12-21-18-20-9-10-25-18/h1-10H,11-12H2,(H,20,21)
InChIKey
RMHXEVWOVWZDDG-UHFFFAOYSA-N
Compound name
N-[[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06552 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07280 182.3
[M+Na]+ 393.05474 198.4
[M+NH4]+ 388.09934 191.2
[M+K]+ 409.02868 190.5
[M-H]- 369.05824 188.4
[M+Na-2H]- 391.04019 192.1
[M]+ 370.06497 187.2
[M]- 370.06607 187.2
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

No patent data available for this compound.