CID 20982838

2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

Structural Information

Molecular Formula
C13H14N2S
SMILES
C1CC(C2=C(C1)N=C(S2)C3=CC=CC=C3)N
InChI
InChI=1S/C13H14N2S/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,14H2
InChIKey
TZODCUYMYAIGFR-UHFFFAOYSA-N
Compound name
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08777 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.095046 148.4
[M+Na]+ 253.076988 156.8
[M-H]- 229.080494 154.4
[M+NH4]+ 248.121593 168.3
[M+K]+ 269.050928 151.7
[M+H-H2O]+ 213.085030 141.7
[M+HCOO]- 275.085971 165.3
[M+CH3COO]- 289.101621 160.9
[M+Na-2H]- 251.062436 150.9
[M]+ 230.08722142 146.3
[M]- 230.08831858 146.3
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.