CID 131770056

N-acetyl desmethyl frovatriptan

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC(=O)NC1CCC2C(C1)C3=C(N2)C=CC(=C3)C(=O)N
InChI
InChI=1S/C15H19N3O2/c1-8(19)17-10-3-5-14-12(7-10)11-6-9(15(16)20)2-4-13(11)18-14/h2,4,6,10,12,14,18H,3,5,7H2,1H3,(H2,16,20)(H,17,19)
InChIKey
CQIAKQMSTPQBAU-UHFFFAOYSA-N
Compound name
6-acetamido-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 162.7
[M+Na]+ 296.13696 170.3
[M+NH4]+ 291.18156 169.7
[M+K]+ 312.11090 167.5
[M-H]- 272.14046 163.8
[M+Na-2H]- 294.12241 163.6
[M]+ 273.14719 163.5
[M]- 273.14829 163.5
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.