CID 2078826

743457-05-8

Structural Information

Molecular Formula
C17H18N2S
SMILES
CC(C)C1=C2C(=CC=C1)SC(=N2)NCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2S/c1-12(2)14-9-6-10-15-16(14)19-17(20-15)18-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,18,19)
InChIKey
OBKLIQZUJWYAFR-UHFFFAOYSA-N
Compound name
N-benzyl-4-propan-2-yl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11908 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12636 164.0
[M+Na]+ 305.10830 173.2
[M-H]- 281.11180 171.0
[M+NH4]+ 300.15290 182.1
[M+K]+ 321.08224 167.4
[M+H-H2O]+ 265.11634 156.5
[M+HCOO]- 327.11728 183.2
[M+CH3COO]- 341.13293 176.3
[M+Na-2H]- 303.09375 167.1
[M]+ 282.11853 167.7
[M]- 282.11963 167.7
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.