CID 5347745

N-(2-chloro-5-nitrobenzylidene)-4-(2-methoxyphenyl)-1-piperazinamine

Structural Information

Molecular Formula
C18H19ClN4O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H19ClN4O3/c1-26-18-5-3-2-4-17(18)21-8-10-22(11-9-21)20-13-14-12-15(23(24)25)6-7-16(14)19/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKey
OHIWMONPLSSPLM-DEDYPNTBSA-N
Compound name
(E)-1-(2-chloro-5-nitrophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

374.11456 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12184 184.5
[M+Na]+ 397.10378 199.9
[M+NH4]+ 392.14838 191.8
[M+K]+ 413.07772 193.8
[M-H]- 373.10728 191.7
[M+Na-2H]- 395.08923 193.4
[M]+ 374.11401 188.9
[M]- 374.11511 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.