CID 35758

Danitracen

Structural Information

Molecular Formula
C20H21NO
SMILES
CN1CCC(=C2C3=CC=CC=C3C(C4=CC=CC=C42)O)CC1
InChI
InChI=1S/C20H21NO/c1-21-12-10-14(11-13-21)19-15-6-2-4-8-17(15)20(22)18-9-5-3-7-16(18)19/h2-9,20,22H,10-13H2,1H3
InChIKey
HLBRHTFSMMEHPK-UHFFFAOYSA-N
Compound name
10-(1-methylpiperidin-4-ylidene)-9H-anthracen-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

40
Patents

291.16232 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 170.8
[M+Na]+ 314.15154 186.2
[M+NH4]+ 309.19614 180.9
[M+K]+ 330.12548 176.4
[M-H]- 290.15504 176.6
[M+Na-2H]- 312.13699 177.7
[M]+ 291.16177 174.8
[M]- 291.16287 174.8
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