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

37
Patents

325.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 176.4
[M+Na]+ 348.16824 178.0
[M-H]- 324.17174 183.1
[M+NH4]+ 343.21284 186.8
[M+K]+ 364.14218 169.0
[M+H-H2O]+ 308.17628 170.2
[M+HCOO]- 370.17722 196.7
[M+CH3COO]- 384.19287 205.3
[M+Na-2H]- 346.15369 181.7
[M]+ 325.17847 169.6
[M]- 325.17957 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