CID 131770051

Hydroxyl frovatriptan

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CNC1CCC2C(C1)C3=C(N2)C(=CC(=C3)C(=O)N)O
InChI
InChI=1S/C14H19N3O2/c1-16-8-2-3-11-9(6-8)10-4-7(14(15)19)5-12(18)13(10)17-11/h4-5,8-9,11,16-18H,2-3,6H2,1H3,(H2,15,19)
InChIKey
WKNUOPLCDMOYFP-UHFFFAOYSA-N
Compound name
1-hydroxy-6-(methylamino)-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

261.14774 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 158.1
[M+Na]+ 284.13696 163.9
[M-H]- 260.14046 158.8
[M+NH4]+ 279.18156 175.4
[M+K]+ 300.11090 159.0
[M+H-H2O]+ 244.14500 152.0
[M+HCOO]- 306.14594 173.7
[M+CH3COO]- 320.16159 199.0
[M+Na-2H]- 282.12241 159.8
[M]+ 261.14719 151.6
[M]- 261.14829 151.6
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.