CID 3069273

84484-05-9

Structural Information

Molecular Formula
C23H22N4O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C23H22N4O2S/c1-2-28-18-11-7-16(8-12-18)24-23(30)25-17-9-13-19(14-10-17)29-15-22-26-20-5-3-4-6-21(20)27-22/h3-14H,2,15H2,1H3,(H,26,27)(H2,24,25,30)
InChIKey
KWOAHEXWZNESDY-UHFFFAOYSA-N
Compound name
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.14636 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15364 197.9
[M+Na]+ 441.13558 211.6
[M+NH4]+ 436.18018 205.0
[M+K]+ 457.10952 203.0
[M-H]- 417.13908 204.3
[M+Na-2H]- 439.12103 207.3
[M]+ 418.14581 202.1
[M]- 418.14691 202.1
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.