CID 211309

22833-35-8

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CCN(CC)CC1C(=O)N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C14H17N3OS/c1-3-16(4-2)9-12-13(18)17-11-8-6-5-7-10(11)15-14(17)19-12/h5-8,12H,3-4,9H2,1-2H3
InChIKey
DMUCSTGGZQBYLK-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 162.8
[M+Na]+ 298.09844 173.6
[M-H]- 274.10194 168.2
[M+NH4]+ 293.14304 183.9
[M+K]+ 314.07238 170.2
[M+H-H2O]+ 258.10648 156.5
[M+HCOO]- 320.10742 181.5
[M+CH3COO]- 334.12307 175.9
[M+Na-2H]- 296.08389 164.1
[M]+ 275.10867 170.0
[M]- 275.10977 170.0
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.