CID 6510240

126826-59-3

Structural Information

Molecular Formula
C16H23N3O3S
SMILES
CCCCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H23N3O3S/c1-3-4-11-19-12-5-6-16(19)18-23(21,22)15-9-7-14(8-10-15)17-13(2)20/h7-10H,3-6,11-12H2,1-2H3,(H,17,20)/b18-16-
InChIKey
LWVLXMBAOIDDIV-VLGSPTGOSA-N
Compound name
N-[4-[(Z)-(1-butylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14603 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15331 179.9
[M+Na]+ 360.13525 185.2
[M-H]- 336.13875 186.2
[M+NH4]+ 355.17985 194.4
[M+K]+ 376.10919 181.4
[M+H-H2O]+ 320.14329 171.9
[M+HCOO]- 382.14423 197.4
[M+CH3COO]- 396.15988 212.5
[M+Na-2H]- 358.12070 180.0
[M]+ 337.14548 181.8
[M]- 337.14658 181.8
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.