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 188.2
[M+Na]+ 397.10378 192.9
[M-H]- 373.10728 195.4
[M+NH4]+ 392.14838 197.1
[M+K]+ 413.07772 183.5
[M+H-H2O]+ 357.11182 181.5
[M+HCOO]- 419.11276 204.4
[M+CH3COO]- 433.12841 214.1
[M+Na-2H]- 395.08923 192.6
[M]+ 374.11401 186.7
[M]- 374.11511 186.7
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.