CID 32942

25389-42-8

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)OCCN(CC)CC
InChI
InChI=1S/C22H27NO2/c1-4-22(21(24)25-16-15-23(5-2)6-3)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22/h7-14H,4-6,15-16H2,1-3H3
InChIKey
IMXRUEKSWQADJK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9-ethylfluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 185.6
[M+Na]+ 360.19342 192.0
[M-H]- 336.19692 191.7
[M+NH4]+ 355.23802 205.5
[M+K]+ 376.16736 188.0
[M+H-H2O]+ 320.20146 178.1
[M+HCOO]- 382.20240 207.2
[M+CH3COO]- 396.21805 218.6
[M+Na-2H]- 358.17887 188.4
[M]+ 337.20365 191.2
[M]- 337.20475 191.2
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.