CID 13584912

Org-26576

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1C[C@H]2COC3=C(C=CC=N3)C(=O)N2C1
InChI
InChI=1S/C11H12N2O2/c14-11-9-4-1-5-12-10(9)15-7-8-3-2-6-13(8)11/h1,4-5,8H,2-3,6-7H2/t8-/m0/s1
InChIKey
FIKUEZUFASUKAH-QMMMGPOBSA-N
Compound name
(7S)-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

204.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 139.8
[M+Na]+ 227.079088 147.1
[M-H]- 203.082594 144.2
[M+NH4]+ 222.123693 157.5
[M+K]+ 243.053028 148.0
[M+H-H2O]+ 187.087130 132.9
[M+HCOO]- 249.088071 156.5
[M+CH3COO]- 263.103721 152.0
[M+Na-2H]- 225.064536 146.1
[M]+ 204.08932142 136.0
[M]- 204.09041858 136.0
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