CID 9570432

2-((n'-methyl-n-piperazino)imino)-4'-nitroacetophenone hydrochloride

Structural Information

Molecular Formula
C13H16N4O3
SMILES
CN1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H16N4O3/c1-15-6-8-16(9-7-15)14-10-13(18)11-2-4-12(5-3-11)17(19)20/h2-5,10H,6-9H2,1H3/b14-10+
InChIKey
BRTRUEAHBHPGDU-GXDHUFHOSA-N
Compound name
(2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12225 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12953 160.2
[M+Na]+ 299.11147 171.8
[M+NH4]+ 294.15607 166.5
[M+K]+ 315.08541 168.8
[M-H]- 275.11497 164.1
[M+Na-2H]- 297.09692 166.3
[M]+ 276.12170 162.5
[M]- 276.12280 162.5
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.