CID 5347509

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

Structural Information

Molecular Formula
C22H21ClN4O2
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)/N=C/C4=C(C=CC(=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C22H21ClN4O2/c23-22-9-8-20(27(28)29)14-19(22)15-24-26-12-10-25(11-13-26)16-18-6-3-5-17-4-1-2-7-21(17)18/h1-9,14-15H,10-13,16H2/b24-15+
InChIKey
FTRJLOOQAHNUME-BUVRLJJBSA-N
Compound name
(E)-1-(2-chloro-5-nitrophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1353 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14258 198.2
[M+Na]+ 431.12452 202.2
[M-H]- 407.12802 205.4
[M+NH4]+ 426.16912 206.2
[M+K]+ 447.09846 190.9
[M+H-H2O]+ 391.13256 190.3
[M+HCOO]- 453.13350 212.3
[M+CH3COO]- 467.14915 221.7
[M+Na-2H]- 429.10997 203.3
[M]+ 408.13475 195.4
[M]- 408.13585 195.4
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.