CID 370118

Nsc642709

Structural Information

Molecular Formula
C13H15N3S
SMILES
CN(C)CCN1C=NC2=C1C3=CC=CC=C3S2
InChI
InChI=1S/C13H15N3S/c1-15(2)7-8-16-9-14-13-12(16)10-5-3-4-6-11(10)17-13/h3-6,9H,7-8H2,1-2H3
InChIKey
BHWUXLNSSKNOPO-UHFFFAOYSA-N
Compound name
2-([1]benzothiolo[2,3-d]imidazol-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.09866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10594 153.6
[M+Na]+ 268.08788 166.2
[M-H]- 244.09138 159.7
[M+NH4]+ 263.13248 176.1
[M+K]+ 284.06182 162.6
[M+H-H2O]+ 228.09592 147.2
[M+HCOO]- 290.09686 175.2
[M+CH3COO]- 304.11251 168.1
[M+Na-2H]- 266.07333 157.7
[M]+ 245.09811 162.3
[M]- 245.09921 162.3
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.