CID 11742124

6-hydroxyrizatriptan

Structural Information

Molecular Formula
C15H19N5O
SMILES
CN(C)CCC1=CNC2=C1C=C(C(=C2)O)CN3C=NC=N3
InChI
InChI=1S/C15H19N5O/c1-19(2)4-3-11-7-17-14-6-15(21)12(5-13(11)14)8-20-10-16-9-18-20/h5-7,9-10,17,21H,3-4,8H2,1-2H3
InChIKey
YQPPJBHQJWSUTE-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.15897 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16625 165.8
[M+Na]+ 308.14819 177.8
[M+NH4]+ 303.19279 172.0
[M+K]+ 324.12213 175.8
[M-H]- 284.15169 167.2
[M+Na-2H]- 306.13364 171.6
[M]+ 285.15842 167.7
[M]- 285.15952 167.7
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

patents stripe