CID 367598

Nsc637430

Structural Information

Molecular Formula
C26H15ClN2O
SMILES
C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=O)C4=C(N3)C=C(C=C4)Cl)C#N)C5=CC=CC=C5
InChI
InChI=1S/C26H15ClN2O/c27-18-11-12-19-23(13-18)29-25-21(26(19)30)14-20(16-7-3-1-4-8-16)24(22(25)15-28)17-9-5-2-6-10-17/h1-14H,(H,29,30)
InChIKey
UIRXGCRNDNYIMZ-UHFFFAOYSA-N
Compound name
6-chloro-9-oxo-2,3-diphenyl-10H-acridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.08728 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09456 208.0
[M+Na]+ 429.07650 222.8
[M-H]- 405.08000 214.1
[M+NH4]+ 424.12110 217.7
[M+K]+ 445.05044 207.8
[M+H-H2O]+ 389.08454 191.4
[M+HCOO]- 451.08548 219.3
[M+CH3COO]- 465.10113 215.7
[M+Na-2H]- 427.06195 211.2
[M]+ 406.08673 205.0
[M]- 406.08783 205.0
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.