CID 54002

9-(2-amino-1-methylethyl)-10,10-dimethyl-9-anthrol maleate

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(CN)C1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)C)O
InChI
InChI=1S/C19H23NO/c1-13(12-20)19(21)16-10-6-4-8-14(16)18(2,3)15-9-5-7-11-17(15)19/h4-11,13,21H,12,20H2,1-3H3
InChIKey
CHQXUIARUGGDMS-UHFFFAOYSA-N
Compound name
9-(1-aminopropan-2-yl)-10,10-dimethylanthracen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 167.4
[M+Na]+ 304.16720 180.8
[M+NH4]+ 299.21180 179.8
[M+K]+ 320.14114 168.9
[M-H]- 280.17070 171.7
[M+Na-2H]- 302.15265 175.9
[M]+ 281.17743 171.0
[M]- 281.17853 171.0
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.