CID 3069274

84484-06-0

Structural Information

Molecular Formula
C21H17ClN4OS
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NC4=C(N3)C=C(C=C4)Cl
InChI
InChI=1S/C21H17ClN4OS/c22-14-6-11-18-19(12-14)26-20(25-18)13-27-17-9-7-16(8-10-17)24-21(28)23-15-4-2-1-3-5-15/h1-12H,13H2,(H,25,26)(H2,23,24,28)
InChIKey
FOMJLWRQGAVRJQ-UHFFFAOYSA-N
Compound name
1-[4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]phenyl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08115 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08843 193.3
[M+Na]+ 431.07037 208.8
[M+NH4]+ 426.11497 201.5
[M+K]+ 447.04431 199.0
[M-H]- 407.07387 200.2
[M+Na-2H]- 429.05582 203.5
[M]+ 408.08060 198.3
[M]- 408.08170 198.3
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.