CID 382383

Nsc669941

Structural Information

Molecular Formula
C13H16N2S
SMILES
CCC1(N2C(=NC3=CC=CC=C32)CS1)CC
InChI
InChI=1S/C13H16N2S/c1-3-13(4-2)15-11-8-6-5-7-10(11)14-12(15)9-16-13/h5-8H,3-4,9H2,1-2H3
InChIKey
CMVFCRBJNIAVEV-UHFFFAOYSA-N
Compound name
1,1-diethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10342 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 151.1
[M+Na]+ 255.09264 163.5
[M-H]- 231.09614 155.2
[M+NH4]+ 250.13724 175.7
[M+K]+ 271.06658 159.2
[M+H-H2O]+ 215.10068 145.6
[M+HCOO]- 277.10162 168.5
[M+CH3COO]- 291.11727 165.0
[M+Na-2H]- 253.07809 154.5
[M]+ 232.10287 156.7
[M]- 232.10397 156.7
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.