CID 3074990

170658-33-0

Structural Information

Molecular Formula
C17H15N3S
SMILES
C1=CC=C(C=C1)CNCC2=CSC3=NC4=CC=CC=C4N23
InChI
InChI=1S/C17H15N3S/c1-2-6-13(7-3-1)10-18-11-14-12-21-17-19-15-8-4-5-9-16(15)20(14)17/h1-9,12,18H,10-11H2
InChIKey
ZJMDDYRIWHGUKH-UHFFFAOYSA-N
Compound name
1-phenyl-N-([1,3]thiazolo[3,2-a]benzimidazol-1-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09866 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10594 163.6
[M+Na]+ 316.08788 179.3
[M+NH4]+ 311.13248 174.0
[M+K]+ 332.06182 171.3
[M-H]- 292.09138 169.4
[M+Na-2H]- 314.07333 173.0
[M]+ 293.09811 168.2
[M]- 293.09921 168.2
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.