CID 169502235

Hydroxylitracen 1

Structural Information

Molecular Formula
C20H35NO
SMILES
CC1(C2CCCCC2/C(=C/CCNC)/C3C1C(CCC3)O)C
InChI
InChI=1S/C20H35NO/c1-20(2)17-11-5-4-8-15(17)14(10-7-13-21-3)16-9-6-12-18(22)19(16)20/h10,15-19,21-22H,4-9,11-13H2,1-3H3/b14-10-
InChIKey
LPYWFWSEAXGAEW-UVTDQMKNSA-N
Compound name
(10Z)-9,9-dimethyl-10-[3-(methylamino)propylidene]-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecahydroanthracen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

305.27185 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.279126 177.8
[M+Na]+ 328.261068 179.7
[M-H]- 304.264574 179.1
[M+NH4]+ 323.305673 195.9
[M+K]+ 344.235008 174.2
[M+H-H2O]+ 288.269110 171.1
[M+HCOO]- 350.270051 187.6
[M+CH3COO]- 364.285701 209.4
[M+Na-2H]- 326.246516 177.5
[M]+ 305.27130142 168.6
[M]- 305.27239858 168.6
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.