CID 372274

Nsc647332

Structural Information

Molecular Formula
C20H23N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C=O)N=C2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C20H23N3O3S/c1-17-7-9-20(10-8-17)27(25,26)23(16-24)21-19-11-13-22(14-12-19)15-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3
InChIKey
CGRLFLSCVXIEMT-UHFFFAOYSA-N
Compound name
N-[(1-benzylpiperidin-4-ylidene)amino]-N-(4-methylphenyl)sulfonylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14603 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15331 190.1
[M+Na]+ 408.13525 194.2
[M-H]- 384.13875 199.8
[M+NH4]+ 403.17985 200.5
[M+K]+ 424.10919 189.8
[M+H-H2O]+ 368.14329 179.5
[M+HCOO]- 430.14423 206.8
[M+CH3COO]- 444.15988 224.1
[M+Na-2H]- 406.12070 192.8
[M]+ 385.14548 190.2
[M]- 385.14658 190.2
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.