CID 169444895

N-nitroso frovatriptan 1

Structural Information

Molecular Formula
C14H16N4O2
SMILES
CN([C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N)N=O
InChI
InChI=1S/C14H16N4O2/c1-18(17-20)9-3-5-13-11(7-9)10-6-8(14(15)19)2-4-12(10)16-13/h2,4,6,9,16H,3,5,7H2,1H3,(H2,15,19)/t9-/m1/s1
InChIKey
LCHAUZPEVOSSJQ-SECBINFHSA-N
Compound name
(6R)-6-[methyl(nitroso)amino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 159.4
[M+Na]+ 295.11654 168.9
[M+NH4]+ 290.16114 166.8
[M+K]+ 311.09048 165.7
[M-H]- 271.12004 162.3
[M+Na-2H]- 293.10199 163.3
[M]+ 272.12677 161.1
[M]- 272.12787 161.1
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.