CID 303984

41326-41-4

Structural Information

Molecular Formula
C12H11NO
SMILES
C1C2C3C(C1C4=CC=CC=C24)NC3=O
InChI
InChI=1S/C12H11NO/c14-12-10-8-5-9(11(10)13-12)7-4-2-1-3-6(7)8/h1-4,8-11H,5H2,(H,13,14)
InChIKey
RFRBOHOGWXBOAB-UHFFFAOYSA-N
Compound name
10-azatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6-trien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

185.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.091336 135.4
[M+Na]+ 208.073278 144.2
[M-H]- 184.076784 138.6
[M+NH4]+ 203.117883 154.4
[M+K]+ 224.047218 142.3
[M+H-H2O]+ 168.081320 126.8
[M+HCOO]- 230.082261 152.9
[M+CH3COO]- 244.097911 148.4
[M+Na-2H]- 206.058726 140.2
[M]+ 185.08351142 143.7
[M]- 185.08460858 143.7
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