CID 55874

88797-52-8

Structural Information

Molecular Formula
C20H23N3O2S2
SMILES
CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CC3=C(C=CC(=C3)O)O
InChI
InChI=1S/C20H23N3O2S2/c1-3-22(4-2)20(26)27-13-19-21-16-7-5-6-8-17(16)23(19)12-14-11-15(24)9-10-18(14)25/h5-11,24-25H,3-4,12-13H2,1-2H3
InChIKey
FWEUUBRULMDQQS-UHFFFAOYSA-N
Compound name
[1-[(2,5-dihydroxyphenyl)methyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.12317 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13045 191.7
[M+Na]+ 424.11239 200.3
[M-H]- 400.11589 195.7
[M+NH4]+ 419.15699 203.4
[M+K]+ 440.08633 192.9
[M+H-H2O]+ 384.12043 184.4
[M+HCOO]- 446.12137 201.2
[M+CH3COO]- 460.13702 220.8
[M+Na-2H]- 422.09784 190.1
[M]+ 401.12262 198.2
[M]- 401.12372 198.2
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.