CID 6510238

126826-55-9

Structural Information

Molecular Formula
C15H21N3O3S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N(C)C(=O)C
InChI
InChI=1S/C15H21N3O3S/c1-4-18-11-5-6-15(18)16-22(20,21)14-9-7-13(8-10-14)17(3)12(2)19/h7-10H,4-6,11H2,1-3H3/b16-15-
InChIKey
NHKZMBSTBCYRSG-NXVVXOECSA-N
Compound name
N-[4-[(Z)-(1-ethylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.137646 175.5
[M+Na]+ 346.119588 181.3
[M-H]- 322.123094 183.5
[M+NH4]+ 341.164193 191.2
[M+K]+ 362.093528 179.3
[M+H-H2O]+ 306.127630 167.6
[M+HCOO]- 368.128571 193.7
[M+CH3COO]- 382.144221 212.8
[M+Na-2H]- 344.105036 175.4
[M]+ 323.12982142 178.4
[M]- 323.13091858 178.4
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.