CID 3540396

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H14N2OS/c17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14/h1-3,6-7H,4-5,8-9H2,(H,15,16,17)
InChIKey
ABEJUGHRZYBBIP-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.08267 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.089946 156.0
[M+Na]+ 281.071888 162.7
[M-H]- 257.075394 162.0
[M+NH4]+ 276.116493 174.3
[M+K]+ 297.045828 158.3
[M+H-H2O]+ 241.079930 148.8
[M+HCOO]- 303.080871 172.4
[M+CH3COO]- 317.096521 167.5
[M+Na-2H]- 279.057336 158.6
[M]+ 258.08212142 154.7
[M]- 258.08321858 154.7
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

patents stripe