CID 6878771

N-(4-(4-chlorobenzyl)-1-piperazinyl)-n-(3-(2-nitrophenyl)-2-propenylidene)amine

Structural Information

Molecular Formula
C20H21ClN4O2
SMILES
C1CN(CCN1CC2=CC=C(C=C2)Cl)/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H21ClN4O2/c21-19-9-7-17(8-10-19)16-23-12-14-24(15-13-23)22-11-3-5-18-4-1-2-6-20(18)25(26)27/h1-11H,12-16H2/b5-3+,22-11+
InChIKey
MXPRUPLAMGDQFB-BMGPFKPPSA-N
Compound name
(E,E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1353 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14258 193.9
[M+Na]+ 407.12452 197.2
[M-H]- 383.12802 200.2
[M+NH4]+ 402.16912 202.0
[M+K]+ 423.09846 186.1
[M+H-H2O]+ 367.13256 186.7
[M+HCOO]- 429.13350 209.4
[M+CH3COO]- 443.14915 215.2
[M+Na-2H]- 405.10997 197.6
[M]+ 384.13475 190.5
[M]- 384.13585 190.5
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.