CID 169502131

Hydroxylitracen 2

Structural Information

Molecular Formula
C20H23NO
SMILES
CC1(C2=CC=CC=C2/C(=C/CCNC)/C3=C1C=C(C=C3)O)C
InChI
InChI=1S/C20H23NO/c1-20(2)18-9-5-4-7-16(18)15(8-6-12-21-3)17-11-10-14(22)13-19(17)20/h4-5,7-11,13,21-22H,6,12H2,1-3H3/b15-8-
InChIKey
SPLXUDZZAVFHAC-NVNXTCNLSA-N
Compound name
(10Z)-9,9-dimethyl-10-[3-(methylamino)propylidene]anthracen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 171.3
[M+Na]+ 316.16720 185.6
[M+NH4]+ 311.21180 182.2
[M+K]+ 332.14114 174.1
[M-H]- 292.17070 175.9
[M+Na-2H]- 314.15265 178.5
[M]+ 293.17743 175.0
[M]- 293.17853 175.0
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.