CID 6510236

126826-53-7

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)NCC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2S/c1-2-22-14-6-9-19(22)21-25(23,24)18-12-10-17(11-13-18)20-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,20H,2,6,9,14-15H2,1H3/b21-19-
InChIKey
SABNYUQAMCDTIY-VZCXRCSSSA-N
Compound name
(NZ)-4-(benzylamino)-N-(1-ethylpyrrolidin-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1511 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 184.5
[M+Na]+ 380.14032 190.2
[M-H]- 356.14382 193.8
[M+NH4]+ 375.18492 197.9
[M+K]+ 396.11426 184.7
[M+H-H2O]+ 340.14836 175.3
[M+HCOO]- 402.14930 203.2
[M+CH3COO]- 416.16495 215.9
[M+Na-2H]- 378.12577 186.3
[M]+ 357.15055 184.9
[M]- 357.15165 184.9
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.