CID 43363740

5-amino-2-chloro-n-(thiophen-2-ylmethyl)benzamide

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]+ 267.03536 158.2
[M+Na]+ 289.01730 166.9
[M-H]- 265.02080 165.2
[M+NH4]+ 284.06190 177.3
[M+K]+ 304.99124 160.9
[M+H-H2O]+ 249.02534 152.4
[M+HCOO]- 311.02628 175.1
[M+CH3COO]- 325.04193 196.2
[M+Na-2H]- 287.00275 158.8
[M]+ 266.02753 160.3
[M]- 266.02863 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.