CID 5468977

Nsc680733

Structural Information

Molecular Formula
C20H15N3O2
SMILES
CN(C)/C=C/C1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4
InChI
InChI=1S/C20H15N3O2/c1-23(2)11-9-13-12-6-3-4-8-15(12)22-18-16(13)20(25)17-14(19(18)24)7-5-10-21-17/h3-11H,1-2H3/b11-9+
InChIKey
QMIOVDKIZOSESD-PKNBQFBNSA-N
Compound name
11-[(E)-2-(dimethylamino)ethenyl]pyrido[2,3-b]acridine-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.11642 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.3
[M+Na]+ 352.10564 187.1
[M-H]- 328.10914 182.2
[M+NH4]+ 347.15024 191.8
[M+K]+ 368.07958 181.0
[M+H-H2O]+ 312.11368 166.9
[M+HCOO]- 374.11462 195.3
[M+CH3COO]- 388.13027 187.9
[M+Na-2H]- 350.09109 184.0
[M]+ 329.11587 179.4
[M]- 329.11697 179.4
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.