CID 4848762

98754-28-0

Structural Information

Molecular Formula
C19H23N3O2
SMILES
C1CN(CCC1NCC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2/c23-22(24)19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20H,10-15H2
InChIKey
DENHVMGXLUWONG-UHFFFAOYSA-N
Compound name
1-benzyl-N-[(2-nitrophenyl)methyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

325.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 176.4
[M+Na]+ 348.168238 178.0
[M-H]- 324.171744 183.1
[M+NH4]+ 343.212843 186.8
[M+K]+ 364.142178 169.0
[M+H-H2O]+ 308.176280 170.2
[M+HCOO]- 370.177221 196.7
[M+CH3COO]- 384.192871 205.3
[M+Na-2H]- 346.153686 181.7
[M]+ 325.17847142 169.6
[M]- 325.17956858 169.6
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

patents stripe