CID 355084

Nsc608062

Structural Information

Molecular Formula
C11H9N3O2S
SMILES
COC(=O)NC1=CN2C3=CC=CC=C3SC2=N1
InChI
InChI=1S/C11H9N3O2S/c1-16-11(15)13-9-6-14-7-4-2-3-5-8(7)17-10(14)12-9/h2-6H,1H3,(H,13,15)
InChIKey
PWPCIUSYLFUVOB-UHFFFAOYSA-N
Compound name
methyl N-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04155 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04883 150.6
[M+Na]+ 270.03077 163.6
[M-H]- 246.03427 155.8
[M+NH4]+ 265.07537 172.2
[M+K]+ 286.00471 160.2
[M+H-H2O]+ 230.03881 144.9
[M+HCOO]- 292.03975 172.0
[M+CH3COO]- 306.05540 165.0
[M+Na-2H]- 268.01622 155.8
[M]+ 247.04100 158.8
[M]- 247.04210 158.8
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.