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]+ 405.13798 193.6
[M+Na]+ 427.11992 207.5
[M+NH4]+ 422.16452 200.8
[M+K]+ 443.09386 199.0
[M-H]- 403.12342 200.0
[M+Na-2H]- 425.10537 203.2
[M]+ 404.13015 197.8
[M]- 404.13125 197.8
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.