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]+ 219.095046 147.9
[M+Na]+ 241.076988 159.4
[M-H]- 217.080494 152.0
[M+NH4]+ 236.121593 170.9
[M+K]+ 257.050928 155.8
[M+H-H2O]+ 201.085030 142.4
[M+HCOO]- 263.085971 164.5
[M+CH3COO]- 277.101621 161.7
[M+Na-2H]- 239.062436 149.4
[M]+ 218.08722142 152.3
[M]- 218.08831858 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.