CID 60857

Zolmitriptan

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKey
ULSDMUVEXKOYBU-ZDUSSCGKSA-N
Compound name
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

493
References

15338
Patents

287.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 167.6
[M+Na]+ 310.15262 178.1
[M+NH4]+ 305.19722 174.3
[M+K]+ 326.12656 176.3
[M-H]- 286.15612 170.8
[M+Na-2H]- 308.13807 171.2
[M]+ 287.16285 169.7
[M]- 287.16395 169.7
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