CID 79004557

[2-(1,3-thiazol-4-yl)-1h-1,3-benzodiazol-5-yl]methanamine

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]+ 231.069896 146.3
[M+Na]+ 253.051838 158.5
[M-H]- 229.055344 150.3
[M+NH4]+ 248.096443 165.1
[M+K]+ 269.025778 152.8
[M+H-H2O]+ 213.059880 139.5
[M+HCOO]- 275.060821 165.1
[M+CH3COO]- 289.076471 159.5
[M+Na-2H]- 251.037286 149.3
[M]+ 230.06207142 148.2
[M]- 230.06316858 148.2
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.