CID 511960

6-[(3,4-dichlorophenyl)methylamino]-3-ethylsulfonyl-pyridine-2-carbonitrile

Structural Information

Molecular Formula
C15H13Cl2N3O2S
SMILES
CCS(=O)(=O)C1=C(N=C(C=C1)NCC2=CC(=C(C=C2)Cl)Cl)C#N
InChI
InChI=1S/C15H13Cl2N3O2S/c1-2-23(21,22)14-5-6-15(20-13(14)8-18)19-9-10-3-4-11(16)12(17)7-10/h3-7H,2,9H2,1H3,(H,19,20)
InChIKey
YTDSYWXXHNMVNF-UHFFFAOYSA-N
Compound name
6-[(3,4-dichlorophenyl)methylamino]-3-ethylsulfonylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.01056 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01784 188.3
[M+Na]+ 391.99978 200.6
[M-H]- 368.00328 193.0
[M+NH4]+ 387.04438 200.0
[M+K]+ 407.97372 192.9
[M+H-H2O]+ 352.00782 175.6
[M+HCOO]- 414.00876 193.8
[M+CH3COO]- 428.02441 221.7
[M+Na-2H]- 389.98523 189.2
[M]+ 369.01001 189.1
[M]- 369.01111 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.