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]+ 306.27913 177.8
[M+Na]+ 328.26107 179.7
[M-H]- 304.26457 179.1
[M+NH4]+ 323.30567 195.9
[M+K]+ 344.23501 174.2
[M+H-H2O]+ 288.26911 171.1
[M+HCOO]- 350.27005 187.6
[M+CH3COO]- 364.28570 209.4
[M+Na-2H]- 326.24652 177.5
[M]+ 305.27130 168.6
[M]- 305.27240 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.