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
2
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]+ 308.200876 175.1
[M+Na]+ 330.182818 182.8
[M-H]- 306.186324 180.3
[M+NH4]+ 325.227423 194.3
[M+K]+ 346.156758 177.5
[M+H-H2O]+ 290.190860 167.7
[M+HCOO]- 352.191801 194.0
[M+CH3COO]- 366.207451 213.3
[M+Na-2H]- 328.168266 179.5
[M]+ 307.19305142 176.2
[M]- 307.19414858 176.2
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.