CID 79004557

1551794-41-2

Structural Information

Molecular Formula
C11H10N4S
SMILES
C1=CC2=C(C=C1CN)NC(=N2)C3=CSC=N3
InChI
InChI=1S/C11H10N4S/c12-4-7-1-2-8-9(3-7)15-11(14-8)10-5-16-6-13-10/h1-3,5-6H,4,12H2,(H,14,15)
InChIKey
DHMLVZCLYNRNAX-UHFFFAOYSA-N
Compound name
[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06262 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06990 146.7
[M+Na]+ 253.05184 159.7
[M+NH4]+ 248.09644 155.4
[M+K]+ 269.02578 154.7
[M-H]- 229.05534 149.8
[M+Na-2H]- 251.03729 153.8
[M]+ 230.06207 149.8
[M]- 230.06317 149.8
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.