CID 5450192

Stl338032

Structural Information

Molecular Formula
C19H21ClN4O2
SMILES
C/C(=N/N1CCN(CC1)CC2=CC=CC=C2Cl)/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H21ClN4O2/c1-15(16-6-8-18(9-7-16)24(25)26)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9H,10-14H2,1H3/b21-15-
InChIKey
GKDCYDHTHCBRLI-QNGOZBTKSA-N
Compound name
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-nitrophenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1353 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.142576 188.7
[M+Na]+ 395.124518 191.9
[M-H]- 371.128024 195.3
[M+NH4]+ 390.169123 197.4
[M+K]+ 411.098458 182.2
[M+H-H2O]+ 355.132560 182.0
[M+HCOO]- 417.133501 203.5
[M+CH3COO]- 431.149151 214.5
[M+Na-2H]- 393.109966 192.0
[M]+ 372.13475142 185.3
[M]- 372.13584858 185.3
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.