CID 146156753

Mk-1029

Structural Information

Molecular Formula
C17H20FNO5S
SMILES
CCOC(=O)CC1=C2CCC(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
InChIKey
OCTAJIYEDUUENF-UHFFFAOYSA-N
Compound name
ethyl 2-(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

0
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 182.9
[M+Na]+ 392.09382 192.1
[M-H]- 368.09732 185.9
[M+NH4]+ 387.13842 198.6
[M+K]+ 408.06776 188.5
[M+H-H2O]+ 352.10186 176.1
[M+HCOO]- 414.10280 195.2
[M+CH3COO]- 428.11845 213.1
[M+Na-2H]- 390.07927 184.4
[M]+ 369.10405 190.0
[M]- 369.10515 190.0
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.