CID 214063

27673-52-5

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1CN(C(CN1N=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H19N3O/c21-18-20-12-11-19(13-15-7-3-1-4-8-15)17(14-20)16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKey
YBKMHPSGFJXYTQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-nitroso-2-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.3
[M+Na]+ 304.14202 171.3
[M-H]- 280.14552 173.4
[M+NH4]+ 299.18662 178.8
[M+K]+ 320.11596 166.8
[M+H-H2O]+ 264.15006 154.9
[M+HCOO]- 326.15100 186.7
[M+CH3COO]- 340.16665 176.6
[M+Na-2H]- 302.12747 171.6
[M]+ 281.15225 162.9
[M]- 281.15335 162.9
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.