CID 5468976

Nsc680732

Structural Information

Molecular Formula
C21H16N2O2
SMILES
CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C21H16N2O2/c1-23(2)12-11-14-13-7-5-6-10-17(13)22-19-18(14)20(24)15-8-3-4-9-16(15)21(19)25/h3-12H,1-2H3/b12-11+
InChIKey
UYOCJURIBHUERU-VAWYXSNFSA-N
Compound name
12-[(E)-2-(dimethylamino)ethenyl]benzo[b]acridine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1212 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 176.2
[M+Na]+ 351.11042 185.6
[M-H]- 327.11392 182.4
[M+NH4]+ 346.15502 192.3
[M+K]+ 367.08436 179.6
[M+H-H2O]+ 311.11846 166.6
[M+HCOO]- 373.11940 195.3
[M+CH3COO]- 387.13505 187.3
[M+Na-2H]- 349.09587 182.4
[M]+ 328.12065 178.3
[M]- 328.12175 178.3
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.