CID 3068978

Benzimidazole, 2-((p-methoxyphenoxy)methyl)-1-((2-thiazolylamino)methyl)-

Structural Information

Molecular Formula
C19H18N4O2S
SMILES
COC1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CNC4=NC=CS4
InChI
InChI=1S/C19H18N4O2S/c1-24-14-6-8-15(9-7-14)25-12-18-22-16-4-2-3-5-17(16)23(18)13-21-19-20-10-11-26-19/h2-11H,12-13H2,1H3,(H,20,21)
InChIKey
GIMPGPZSDCEQSK-UHFFFAOYSA-N
Compound name
N-[[2-[(4-methoxyphenoxy)methyl]benzimidazol-1-yl]methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.11505 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12233 182.1
[M+Na]+ 389.10427 192.6
[M-H]- 365.10777 190.6
[M+NH4]+ 384.14887 195.7
[M+K]+ 405.07821 186.9
[M+H-H2O]+ 349.11231 173.1
[M+HCOO]- 411.11325 202.0
[M+CH3COO]- 425.12890 193.5
[M+Na-2H]- 387.08972 184.3
[M]+ 366.11450 189.7
[M]- 366.11560 189.7
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.