CID 48118

66827-81-4

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCN(CC)CCCOC(=O)C1C2=CC=CC=C2CC3=CC=CC=C13
InChI
InChI=1S/C22H27NO2/c1-3-23(4-2)14-9-15-25-22(24)21-19-12-7-5-10-17(19)16-18-11-6-8-13-20(18)21/h5-8,10-13,21H,3-4,9,14-16H2,1-2H3
InChIKey
KTCJIWKHFVFDCG-UHFFFAOYSA-N
Compound name
3-(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

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 183.4
[M+Na]+ 360.19342 187.6
[M-H]- 336.19692 188.5
[M+NH4]+ 355.23802 199.1
[M+K]+ 376.16736 183.8
[M+H-H2O]+ 320.20146 174.5
[M+HCOO]- 382.20240 202.6
[M+CH3COO]- 396.21805 219.7
[M+Na-2H]- 358.17887 186.8
[M]+ 337.20365 186.3
[M]- 337.20475 186.3
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.