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 176.0
[M-H]- 292.09138 171.4
[M+NH4]+ 311.13248 183.1
[M+K]+ 332.06182 169.5
[M+H-H2O]+ 276.09592 156.5
[M+HCOO]- 338.09686 185.1
[M+CH3COO]- 352.11251 177.0
[M+Na-2H]- 314.07333 168.9
[M]+ 293.09811 170.0
[M]- 293.09921 170.0
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.