CID 5347969

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

Structural Information

Molecular Formula
C19H21ClN4O2
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C19H21ClN4O2/c1-15-2-4-16(5-3-15)14-22-8-10-23(11-9-22)21-13-17-12-18(24(25)26)6-7-19(17)20/h2-7,12-13H,8-11,14H2,1H3/b21-13+
InChIKey
IJGDMKKJKYZMNX-FYJGNVAPSA-N
Compound name
(E)-1-(2-chloro-5-nitrophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

372.1353 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14258 190.2
[M+Na]+ 395.12452 194.7
[M-H]- 371.12802 197.1
[M+NH4]+ 390.16912 199.3
[M+K]+ 411.09846 184.4
[M+H-H2O]+ 355.13256 183.5
[M+HCOO]- 417.13350 205.9
[M+CH3COO]- 431.14915 214.9
[M+Na-2H]- 393.10997 193.8
[M]+ 372.13475 187.7
[M]- 372.13585 187.7
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.