CID 81344

Solvent orange 60

Structural Information

Molecular Formula
C18H10N2O
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC5=C4C(=CC=C5)N3C2=O
InChI
InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H
InChIKey
XFYQEBBUVNLYBR-UHFFFAOYSA-N
Compound name
2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1522
Patents

270.0793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08658 160.7
[M+Na]+ 293.06852 178.5
[M+NH4]+ 288.11312 171.8
[M+K]+ 309.04246 170.2
[M-H]- 269.07202 164.9
[M+Na-2H]- 291.05397 167.0
[M]+ 270.07875 164.8
[M]- 270.07985 164.8
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