CID 16740872

1-(2-nitrophenyl)-3-phenylpiperazine

Structural Information

Molecular Formula
C16H17N3O2
SMILES
C1CN(CC(N1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O2/c20-19(21)16-9-5-4-8-15(16)18-11-10-17-14(12-18)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2
InChIKey
LWSPEGPKBZXBMF-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)-3-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 164.5
[M+Na]+ 306.12130 167.8
[M-H]- 282.12480 169.2
[M+NH4]+ 301.16590 174.9
[M+K]+ 322.09524 158.4
[M+H-H2O]+ 266.12934 158.5
[M+HCOO]- 328.13028 181.9
[M+CH3COO]- 342.14593 191.7
[M+Na-2H]- 304.10675 170.6
[M]+ 283.13153 155.9
[M]- 283.13263 155.9
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.