CID 46284

Usaf in-8

Structural Information

Molecular Formula
C12H17N3S
SMILES
CN(C)CCCSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C12H17N3S/c1-15(2)8-5-9-16-12-13-10-6-3-4-7-11(10)14-12/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKey
REEFNQCXWFOXEL-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.11432 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12160 151.8
[M+Na]+ 258.10354 163.8
[M+NH4]+ 253.14814 160.6
[M+K]+ 274.07748 156.3
[M-H]- 234.10704 154.1
[M+Na-2H]- 256.08899 157.7
[M]+ 235.11377 154.6
[M]- 235.11487 154.6
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

patents stripe