CID 172999

Lurosetron

Structural Information

Molecular Formula
C17H17FN4O
SMILES
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F
InChI
InChI=1S/C17H17FN4O/c1-10-13(20-9-19-10)8-22-7-6-14-15(17(22)23)11-4-3-5-12(18)16(11)21(14)2/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKey
NUMKWGDDRWJQMY-UHFFFAOYSA-N
Compound name
6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

312.13864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14592 174.8
[M+Na]+ 335.12786 188.3
[M+NH4]+ 330.17246 181.4
[M+K]+ 351.10180 184.8
[M-H]- 311.13136 175.4
[M+Na-2H]- 333.11331 178.4
[M]+ 312.13809 176.7
[M]- 312.13919 176.7
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