CID 3069269

84484-01-5

Structural Information

Molecular Formula
C22H20N4O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H20N4O2S/c1-27-17-10-6-15(7-11-17)23-22(29)24-16-8-12-18(13-9-16)28-14-21-25-19-4-2-3-5-20(19)26-21/h2-13H,14H2,1H3,(H,25,26)(H2,23,24,29)
InChIKey
QGWJERVEGWDKRY-UHFFFAOYSA-N
Compound name
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.137976 191.8
[M+Na]+ 427.119918 199.4
[M-H]- 403.123424 199.1
[M+NH4]+ 422.164523 201.8
[M+K]+ 443.093858 191.8
[M+H-H2O]+ 387.127960 182.2
[M+HCOO]- 449.128901 209.5
[M+CH3COO]- 463.144551 200.9
[M+Na-2H]- 425.105366 195.5
[M]+ 404.13015142 194.9
[M]- 404.13124858 194.9
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.