CID 2758775

680618-11-5

Structural Information

Molecular Formula
C14H19ClN2O4S
SMILES
CCOC1=C(C=C(C=C1)NC(=O)N2CCCCC2)S(=O)(=O)Cl
InChI
InChI=1S/C14H19ClN2O4S/c1-2-21-12-7-6-11(10-13(12)22(15,19)20)16-14(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKey
RAWPRYZXTOLPJD-UHFFFAOYSA-N
Compound name
2-ethoxy-5-(piperidine-1-carbonylamino)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0754 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.082676 175.3
[M+Na]+ 369.064618 181.0
[M-H]- 345.068124 180.1
[M+NH4]+ 364.109223 188.0
[M+K]+ 385.038558 176.6
[M+H-H2O]+ 329.072660 168.3
[M+HCOO]- 391.073601 184.3
[M+CH3COO]- 405.089251 206.3
[M+Na-2H]- 367.050066 176.7
[M]+ 346.07485142 177.4
[M]- 346.07594858 177.4
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.