CID 9589297

1-((((4-aminophenyl)sulfonyl)imino)methyl)piperidine

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
C1CCN(CC1)/C=N/S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H17N3O2S/c13-11-4-6-12(7-5-11)18(16,17)14-10-15-8-2-1-3-9-15/h4-7,10H,1-3,8-9,13H2/b14-10+
InChIKey
ZIBMYIOYYKTLJX-GXDHUFHOSA-N
Compound name
(NE)-4-amino-N-(piperidin-1-ylmethylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10416 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 158.6
[M+Na]+ 290.09338 164.0
[M-H]- 266.09688 164.0
[M+NH4]+ 285.13798 173.6
[M+K]+ 306.06732 160.0
[M+H-H2O]+ 250.10142 150.4
[M+HCOO]- 312.10236 175.2
[M+CH3COO]- 326.11801 197.8
[M+Na-2H]- 288.07883 162.5
[M]+ 267.10361 155.4
[M]- 267.10471 155.4
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.