CID 2761090

N-[4-(methylsulfonyl)-2-nitrophenyl]piperidin-4-amine

Structural Information

Molecular Formula
C12H17N3O4S
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)NC2CCNCC2)[N+](=O)[O-]
InChI
InChI=1S/C12H17N3O4S/c1-20(18,19)10-2-3-11(12(8-10)15(16)17)14-9-4-6-13-7-5-9/h2-3,8-9,13-14H,4-7H2,1H3
InChIKey
ULSPPJWACQMNOF-UHFFFAOYSA-N
Compound name
N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09396 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10124 161.9
[M+Na]+ 322.08318 165.4
[M-H]- 298.08668 165.1
[M+NH4]+ 317.12778 173.6
[M+K]+ 338.05712 157.0
[M+H-H2O]+ 282.09122 158.7
[M+HCOO]- 344.09216 175.8
[M+CH3COO]- 358.10781 192.0
[M+Na-2H]- 320.06863 167.5
[M]+ 299.09341 156.0
[M]- 299.09451 156.0
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.