CID 3069271

Thiourea, n-(4-(1h-benzimidazol-2-ylmethoxy)phenyl)-n'-(3-methylphenyl)-

Structural Information

Molecular Formula
C22H20N4OS
SMILES
CC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H20N4OS/c1-15-5-4-6-17(13-15)24-22(28)23-16-9-11-18(12-10-16)27-14-21-25-19-7-2-3-8-20(19)26-21/h2-13H,14H2,1H3,(H,25,26)(H2,23,24,28)
InChIKey
DEHAFGHSMBDUIN-UHFFFAOYSA-N
Compound name
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14305 190.3
[M+Na]+ 411.12499 204.7
[M+NH4]+ 406.16959 198.1
[M+K]+ 427.09893 195.7
[M-H]- 387.12849 197.2
[M+Na-2H]- 409.11044 200.3
[M]+ 388.13522 194.8
[M]- 388.13632 194.8
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.