CID 43120178

4-benzyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C14H12N2S
SMILES
C1=CC=C(C=C1)CC2=C3C(=CC=C2)SC(=N3)N
InChI
InChI=1S/C14H12N2S/c15-14-16-13-11(7-4-8-12(13)17-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,15,16)
InChIKey
OHZLQXODZQFOCE-UHFFFAOYSA-N
Compound name
4-benzyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07211 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07939 150.2
[M+Na]+ 263.06133 161.3
[M-H]- 239.06483 157.2
[M+NH4]+ 258.10593 169.9
[M+K]+ 279.03527 155.2
[M+H-H2O]+ 223.06937 143.3
[M+HCOO]- 285.07031 171.0
[M+CH3COO]- 299.08596 163.8
[M+Na-2H]- 261.04678 155.0
[M]+ 240.07156 152.6
[M]- 240.07266 152.6
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

patents stripe