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]+ 274.155016 161.9
[M+Na]+ 296.136958 166.8
[M-H]- 272.140464 163.5
[M+NH4]+ 291.181563 179.0
[M+K]+ 312.110898 162.4
[M+H-H2O]+ 256.145000 155.2
[M+HCOO]- 318.145941 177.9
[M+CH3COO]- 332.161591 202.4
[M+Na-2H]- 294.122406 163.0
[M]+ 273.14719142 155.6
[M]- 273.14828858 155.6
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.