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]+ 338.21148 183.5
[M+Na]+ 360.19342 187.4
[M-H]- 336.19692 188.7
[M+NH4]+ 355.23802 199.1
[M+K]+ 376.16736 184.1
[M+H-H2O]+ 320.20146 174.9
[M+HCOO]- 382.20240 201.7
[M+CH3COO]- 396.21805 220.6
[M+Na-2H]- 358.17887 185.8
[M]+ 337.20365 185.8
[M]- 337.20475 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.