CID 169502122

Hydroxymelitracen 2

Structural Information

Molecular Formula
C21H25NO
SMILES
CC1(C2=CC=CC=C2/C(=C/CCN(C)C)/C3=C1C=C(C=C3)O)C
InChI
InChI=1S/C21H25NO/c1-21(2)19-10-6-5-8-17(19)16(9-7-13-22(3)4)18-12-11-15(23)14-20(18)21/h5-6,8-12,14,23H,7,13H2,1-4H3/b16-9-
InChIKey
SFBSHURITPKXSE-SXGWCWSVSA-N
Compound name
(10Z)-10-[3-(dimethylamino)propylidene]-9,9-dimethylanthracen-2-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]+ 308.20088 175.1
[M+Na]+ 330.18282 182.8
[M-H]- 306.18632 180.3
[M+NH4]+ 325.22742 194.3
[M+K]+ 346.15676 177.5
[M+H-H2O]+ 290.19086 167.7
[M+HCOO]- 352.19180 194.0
[M+CH3COO]- 366.20745 213.3
[M+Na-2H]- 328.16827 179.5
[M]+ 307.19305 176.2
[M]- 307.19415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.