CID 6510239

Methyl 4-(((1-ethyl-2-pyrrolidinylidene)amino)sulfonyl)benzoate

Structural Information

Molecular Formula
C14H18N2O4S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C14H18N2O4S/c1-3-16-10-4-5-13(16)15-21(18,19)12-8-6-11(7-9-12)14(17)20-2/h6-9H,3-5,10H2,1-2H3/b15-13-
InChIKey
MGQOEFFHPBKNKJ-SQFISAMPSA-N
Compound name
methyl 4-[(Z)-(1-ethylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09872 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10600 170.9
[M+Na]+ 333.08794 177.8
[M-H]- 309.09144 177.7
[M+NH4]+ 328.13254 186.8
[M+K]+ 349.06188 175.2
[M+H-H2O]+ 293.09598 163.6
[M+HCOO]- 355.09692 188.3
[M+CH3COO]- 369.11257 203.6
[M+Na-2H]- 331.07339 171.4
[M]+ 310.09817 174.3
[M]- 310.09927 174.3
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.