CID 3069270

84484-02-6

Structural Information

Molecular Formula
C22H19ClN4O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C22H19ClN4O2S/c1-28-17-7-3-15(4-8-17)24-22(30)25-16-5-9-18(10-6-16)29-13-21-26-19-11-2-14(23)12-20(19)27-21/h2-12H,13H2,1H3,(H,26,27)(H2,24,25,30)
InChIKey
UJZIXHMDRYNXBO-UHFFFAOYSA-N
Compound name
1-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09174 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09902 201.6
[M+Na]+ 461.08096 216.7
[M+NH4]+ 456.12556 209.1
[M+K]+ 477.05490 207.4
[M-H]- 437.08446 208.1
[M+Na-2H]- 459.06641 210.9
[M]+ 438.09119 206.4
[M]- 438.09229 206.4
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.