CID 515668

Schembl11842944

Structural Information

Molecular Formula
C24H24N2O2
SMILES
CN(C)CC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)CN(C)C
InChI
InChI=1S/C24H24N2O2/c1-25(2)13-22(27)15-8-9-16-18-6-5-7-19-17(23(28)14-26(3)4)10-11-20(24(18)19)21(16)12-15/h5-12H,13-14H2,1-4H3
InChIKey
QCHHDVXUCJUNJK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-[4-[2-(dimethylamino)acetyl]fluoranthen-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

372.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.191056 192.8
[M+Na]+ 395.172998 198.7
[M-H]- 371.176504 200.6
[M+NH4]+ 390.217603 210.4
[M+K]+ 411.146938 195.5
[M+H-H2O]+ 355.181040 184.5
[M+HCOO]- 417.181981 213.6
[M+CH3COO]- 431.197631 235.4
[M+Na-2H]- 393.158446 194.0
[M]+ 372.18323142 199.1
[M]- 372.18432858 199.1
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

patents stripe