CID 211310

22833-36-9

Structural Information

Molecular Formula
C12H13N3OS
SMILES
CN(C)CC1C(=O)N2C3=CC=CC=C3N=C2S1
InChI
InChI=1S/C12H13N3OS/c1-14(2)7-10-11(16)15-9-6-4-3-5-8(9)13-12(15)17-10/h3-6,10H,7H2,1-2H3
InChIKey
ZABRHKUAXOECCW-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08521 153.5
[M+Na]+ 270.06715 165.4
[M+NH4]+ 265.11175 162.8
[M+K]+ 286.04109 160.5
[M-H]- 246.07065 155.8
[M+Na-2H]- 268.05260 157.7
[M]+ 247.07738 156.2
[M]- 247.07848 156.2
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.