CID 11059

Pavatrin

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H23NO2/c1-3-21(4-2)13-14-23-20(22)19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKey
SHLRAXTXBZMDPP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

309.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 176.2
[M+Na]+ 332.16210 182.3
[M-H]- 308.16560 182.3
[M+NH4]+ 327.20670 195.1
[M+K]+ 348.13604 178.7
[M+H-H2O]+ 292.17014 168.6
[M+HCOO]- 354.17108 198.4
[M+CH3COO]- 368.18673 213.2
[M+Na-2H]- 330.14755 179.0
[M]+ 309.17233 180.7
[M]- 309.17343 180.7
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

patents stripe