CID 9589297

Piperidine, 1-((((4-aminophenyl)sulfonyl)imino)methyl)-

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]+ 268.111436 158.6
[M+Na]+ 290.093378 164.0
[M-H]- 266.096884 164.0
[M+NH4]+ 285.137983 173.6
[M+K]+ 306.067318 160.0
[M+H-H2O]+ 250.101420 150.4
[M+HCOO]- 312.102361 175.2
[M+CH3COO]- 326.118011 197.8
[M+Na-2H]- 288.078826 162.5
[M]+ 267.10361142 155.4
[M]- 267.10470858 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.