CID 169501936

Hydroxymelitracen 4

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1(C2=C(C(=CC=C2)O)/C(=C\CCN(C)C)/C3=CC=CC=C31)C
InChI
InChI=1S/C21H25NO/c1-21(2)17-11-6-5-9-15(17)16(10-8-14-22(3)4)20-18(21)12-7-13-19(20)23/h5-7,9-13,23H,8,14H2,1-4H3/b16-10-
InChIKey
JSRCGPMXKPNFQZ-YBEGLDIGSA-N
Compound name
(9Z)-9-[3-(dimethylamino)propylidene]-10,10-dimethylanthracen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 175.6
[M+Na]+ 330.18282 189.8
[M+NH4]+ 325.22742 186.5
[M+K]+ 346.15676 178.6
[M-H]- 306.18632 180.4
[M+Na-2H]- 328.16827 182.8
[M]+ 307.19305 179.3
[M]- 307.19415 179.3
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.