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 168.4
[M+Na]+ 304.16720 176.7
[M-H]- 280.17070 172.2
[M+NH4]+ 299.21180 189.6
[M+K]+ 320.14114 171.3
[M+H-H2O]+ 264.17524 162.0
[M+HCOO]- 326.17618 185.8
[M+CH3COO]- 340.19183 179.5
[M+Na-2H]- 302.15265 174.2
[M]+ 281.17743 167.1
[M]- 281.17853 167.1
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.