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]+ 385.142576 193.9
[M+Na]+ 407.124518 197.2
[M-H]- 383.128024 200.2
[M+NH4]+ 402.169123 202.0
[M+K]+ 423.098458 186.1
[M+H-H2O]+ 367.132560 186.7
[M+HCOO]- 429.133501 209.4
[M+CH3COO]- 443.149151 215.2
[M+Na-2H]- 405.109966 197.6
[M]+ 384.13475142 190.5
[M]- 384.13584858 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.