CID 382384

Nsc669942

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC(C)C1N2C(=NC3=CC=CC=C32)CS1
InChI
InChI=1S/C12H14N2S/c1-8(2)12-14-10-6-4-3-5-9(10)13-11(14)7-15-12/h3-6,8,12H,7H2,1-2H3
InChIKey
CRQBLABDWHLEIW-UHFFFAOYSA-N
Compound name
1-propan-2-yl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08777 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 147.9
[M+Na]+ 241.07699 159.4
[M-H]- 217.08049 152.0
[M+NH4]+ 236.12159 170.9
[M+K]+ 257.05093 155.8
[M+H-H2O]+ 201.08503 142.4
[M+HCOO]- 263.08597 164.5
[M+CH3COO]- 277.10162 161.7
[M+Na-2H]- 239.06244 149.4
[M]+ 218.08722 152.3
[M]- 218.08832 152.3
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.