CID 91097697

1242273-04-6

Structural Information

Molecular Formula
C17H20FNO5S
SMILES
CCOC(=O)CC1=C2CC[C@@H](CN2C3=C1C=CC=C3F)OS(=O)(=O)C
InChI
InChI=1S/C17H20FNO5S/c1-3-23-16(20)9-13-12-5-4-6-14(18)17(12)19-10-11(7-8-15(13)19)24-25(2,21)22/h4-6,11H,3,7-10H2,1-2H3/t11-/m0/s1
InChIKey
OCTAJIYEDUUENF-NSHDSACASA-N
Compound name
ethyl 2-[(7S)-4-fluoro-7-methylsulfonyloxy-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

369.1046 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11188 183.9
[M+Na]+ 392.09382 193.6
[M+NH4]+ 387.13842 189.5
[M+K]+ 408.06776 188.5
[M-H]- 368.09732 182.1
[M+Na-2H]- 390.07927 185.0
[M]+ 369.10405 185.0
[M]- 369.10515 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe