CID 375077

Nsc654015

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1=CC=C(C=C1)C2(NC3=CC=CC=C3S2)C(=O)N
InChI
InChI=1S/C14H12N2OS/c15-13(17)14(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)18-14/h1-9,16H,(H2,15,17)
InChIKey
MPXTUOXGMAPEPQ-UHFFFAOYSA-N
Compound name
2-phenyl-3H-1,3-benzothiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.06705 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 155.5
[M+Na]+ 279.05627 163.7
[M-H]- 255.05977 160.2
[M+NH4]+ 274.10087 175.0
[M+K]+ 295.03021 158.0
[M+H-H2O]+ 239.06431 149.1
[M+HCOO]- 301.06525 171.2
[M+CH3COO]- 315.08090 167.1
[M+Na-2H]- 277.04172 159.1
[M]+ 256.06650 153.4
[M]- 256.06760 153.4
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.