CID 52495

73791-33-0

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)C(C)COC(=O)C1C2=CC=CC=C2CC3=CC=CC=C13
InChI
InChI=1S/C22H27NO2/c1-4-23(5-2)16(3)15-25-22(24)21-19-12-8-6-10-17(19)14-18-11-7-9-13-20(18)21/h6-13,16,21H,4-5,14-15H2,1-3H3
InChIKey
PXDQNNDDGASKMB-UHFFFAOYSA-N
Compound name
2-(diethylamino)propyl 9,10-dihydroanthracene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 183.5
[M+Na]+ 360.193418 187.4
[M-H]- 336.196924 188.7
[M+NH4]+ 355.238023 199.1
[M+K]+ 376.167358 184.1
[M+H-H2O]+ 320.201460 174.9
[M+HCOO]- 382.202401 201.7
[M+CH3COO]- 396.218051 220.6
[M+Na-2H]- 358.178866 185.8
[M]+ 337.20365142 185.8
[M]- 337.20474858 185.8
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.