CID 3040809

52963-47-0

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCN[C@H]1CCN(C1)C2C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C19H22N2O/c1-2-20-14-11-12-21(13-14)19-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)19/h3-10,14,19-20H,2,11-13H2,1H3/t14-/m0/s1
InChIKey
VHOQCSPRSPJIAH-AWEZNQCLSA-N
Compound name
(3S)-N-ethyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 168.6
[M+Na]+ 317.16244 174.7
[M-H]- 293.16594 175.5
[M+NH4]+ 312.20704 184.6
[M+K]+ 333.13638 170.1
[M+H-H2O]+ 277.17048 159.9
[M+HCOO]- 339.17142 186.2
[M+CH3COO]- 353.18707 179.2
[M+Na-2H]- 315.14789 173.0
[M]+ 294.17267 166.3
[M]- 294.17377 166.3
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.