CID 485829

5-[(2-methylbenzimidazol-1-yl)methyl]-3-(morpholinomethyl)-1,3,4-oxadiazole-2-thione

Structural Information

Molecular Formula
C16H19N5O2S
SMILES
CC1=NC2=CC=CC=C2N1CC3=NN(C(=S)O3)CN4CCOCC4
InChI
InChI=1S/C16H19N5O2S/c1-12-17-13-4-2-3-5-14(13)20(12)10-15-18-21(16(24)23-15)11-19-6-8-22-9-7-19/h2-5H,6-11H2,1H3
InChIKey
LPGOUZSMYAKUOF-UHFFFAOYSA-N
Compound name
5-[(2-methylbenzimidazol-1-yl)methyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.12595 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13323 179.5
[M+Na]+ 368.11517 191.1
[M-H]- 344.11867 186.2
[M+NH4]+ 363.15977 189.1
[M+K]+ 384.08911 187.4
[M+H-H2O]+ 328.12321 170.9
[M+HCOO]- 390.12415 191.0
[M+CH3COO]- 404.13980 190.1
[M+Na-2H]- 366.10062 177.6
[M]+ 345.12540 184.1
[M]- 345.12650 184.1
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.