CID 16206127

2-chloro-3-(4-nitrophenyl)-2-propenal 9-acridinylhydrazone

Structural Information

Molecular Formula
C22H15ClN4O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N/N=C/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/Cl
InChI
InChI=1S/C22H15ClN4O2/c23-16(13-15-9-11-17(12-10-15)27(28)29)14-24-26-22-18-5-1-3-7-20(18)25-21-8-4-2-6-19(21)22/h1-14H,(H,25,26)/b16-13-,24-14+
InChIKey
PALZRJBJTONZBB-DNSIDTQISA-N
Compound name
N-[(E)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.08835 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09563 191.7
[M+Na]+ 425.07757 197.9
[M-H]- 401.08107 199.1
[M+NH4]+ 420.12217 202.3
[M+K]+ 441.05151 186.4
[M+H-H2O]+ 385.08561 185.6
[M+HCOO]- 447.08655 211.5
[M+CH3COO]- 461.10220 222.4
[M+Na-2H]- 423.06302 201.5
[M]+ 402.08780 193.3
[M]- 402.08890 193.3
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.