CID 16206127

94355-83-6

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]+ 403.095626 191.7
[M+Na]+ 425.077568 197.9
[M-H]- 401.081074 199.1
[M+NH4]+ 420.122173 202.3
[M+K]+ 441.051508 186.4
[M+H-H2O]+ 385.085610 185.6
[M+HCOO]- 447.086551 211.5
[M+CH3COO]- 461.102201 222.4
[M+Na-2H]- 423.063016 201.5
[M]+ 402.08780142 193.3
[M]- 402.08889858 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.