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]+ 248.085206 153.8
[M+Na]+ 270.067148 165.5
[M-H]- 246.070654 159.5
[M+NH4]+ 265.111753 176.0
[M+K]+ 286.041088 162.6
[M+H-H2O]+ 230.075190 147.9
[M+HCOO]- 292.076131 173.1
[M+CH3COO]- 306.091781 167.8
[M+Na-2H]- 268.052596 156.0
[M]+ 247.07738142 160.4
[M]- 247.07847858 160.4
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.