CID 21045

Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-ethoxyphenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C21H27N3OS
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C1SC3=CC=C(C=C3)OCC
InChI
InChI=1S/C21H27N3OS/c1-4-23(5-2)15-16-24-20-10-8-7-9-19(20)22-21(24)26-18-13-11-17(12-14-18)25-6-3/h7-14H,4-6,15-16H2,1-3H3
InChIKey
IZOVBNQUECKIFU-UHFFFAOYSA-N
Compound name
2-[2-(4-ethoxyphenyl)sulfanylbenzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18747 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19475 189.9
[M+Na]+ 392.17669 198.3
[M-H]- 368.18019 196.5
[M+NH4]+ 387.22129 203.9
[M+K]+ 408.15063 192.8
[M+H-H2O]+ 352.18473 180.4
[M+HCOO]- 414.18567 208.1
[M+CH3COO]- 428.20132 222.4
[M+Na-2H]- 390.16214 190.7
[M]+ 369.18692 198.9
[M]- 369.18802 198.9
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.