CID 383959

Nsc672963

Structural Information

Molecular Formula
C21H18N2O2
SMILES
CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C21H18N2O2/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/h3-10H,11-12H2,1-2H3
InChIKey
XJZGMWIAURUPFX-UHFFFAOYSA-N
Compound name
12-[2-(dimethylamino)ethyl]benzo[b]acridine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.13684 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 177.4
[M+Na]+ 353.12606 186.3
[M-H]- 329.12956 183.5
[M+NH4]+ 348.17066 193.3
[M+K]+ 369.10000 181.0
[M+H-H2O]+ 313.13410 167.6
[M+HCOO]- 375.13504 196.2
[M+CH3COO]- 389.15069 188.3
[M+Na-2H]- 351.11151 183.5
[M]+ 330.13629 180.1
[M]- 330.13739 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.