CID 3048918

Thiazolo(3,2-a)benzimidazole, 4a,5,6,7,8,8a-hexahydro-3-methyl-, hydrochloride, (e)-

Structural Information

Molecular Formula
C10H14N2S
SMILES
CC1=CSC2=N[C@@H]3CCCC[C@H]3N12
InChI
InChI=1S/C10H14N2S/c1-7-6-13-10-11-8-4-2-3-5-9(8)12(7)10/h6,8-9H,2-5H2,1H3/t8-,9-/m1/s1
InChIKey
ATXOJRLXDAUSHR-RKDXNWHRSA-N
Compound name
(4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.095046 142.2
[M+Na]+ 217.076988 151.7
[M-H]- 193.080494 145.2
[M+NH4]+ 212.121593 165.9
[M+K]+ 233.050928 148.9
[M+H-H2O]+ 177.085030 136.8
[M+HCOO]- 239.085971 156.2
[M+CH3COO]- 253.101621 155.2
[M+Na-2H]- 215.062436 142.9
[M]+ 194.08722142 142.2
[M]- 194.08831858 142.2
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.