CID 43363740

1099610-86-2

Structural Information

Molecular Formula
C12H11ClN2OS
SMILES
C1=CSC(=C1)CNC(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C12H11ClN2OS/c13-11-4-3-8(14)6-10(11)12(16)15-7-9-2-1-5-17-9/h1-6H,7,14H2,(H,15,16)
InChIKey
NHYJCSGSBYOMRX-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-N-(thiophen-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.035356 158.2
[M+Na]+ 289.017298 166.9
[M-H]- 265.020804 165.2
[M+NH4]+ 284.061903 177.3
[M+K]+ 304.991238 160.9
[M+H-H2O]+ 249.025340 152.4
[M+HCOO]- 311.026281 175.1
[M+CH3COO]- 325.041931 196.2
[M+Na-2H]- 287.002746 158.8
[M]+ 266.02753142 160.3
[M]- 266.02862858 160.3
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.