CID 9818479

Sumanirole

Structural Information

Molecular Formula
C11H13N3O
SMILES
CN[C@@H]1CC2=C3C(=CC=C2)NC(=O)N3C1
InChI
InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
InChIKey
RKZSNTNMEFVBDT-MRVPVSSYSA-N
Compound name
(10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

42
References

1141
Patents

203.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 141.3
[M+Na]+ 226.09509 154.3
[M+NH4]+ 221.13969 150.1
[M+K]+ 242.06903 149.4
[M-H]- 202.09859 142.9
[M+Na-2H]- 224.08054 146.1
[M]+ 203.10532 143.5
[M]- 203.10642 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe