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 161.4
[M+Na]+ 299.11147 165.4
[M-H]- 275.11497 166.0
[M+NH4]+ 294.15607 173.7
[M+K]+ 315.08541 159.0
[M+H-H2O]+ 259.11951 156.3
[M+HCOO]- 321.12045 182.4
[M+CH3COO]- 335.13610 196.9
[M+Na-2H]- 297.09692 167.2
[M]+ 276.12170 156.7
[M]- 276.12280 156.7
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.