CID 335655

3jx9lz9onw

Structural Information

Molecular Formula
C17H10N2O
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)N5C=CC=C5C=N4
InChI
InChI=1S/C17H10N2O/c1-2-6-16-12(5-1)13-8-14-15(9-17(13)20-16)19-7-3-4-11(19)10-18-14/h1-10H
InChIKey
CYMSWDXQAINALU-UHFFFAOYSA-N
Compound name
20-oxa-4,10-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1,3(11),5,7,9,12,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0793 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08658 153.4
[M+Na]+ 281.06852 168.6
[M-H]- 257.07202 161.1
[M+NH4]+ 276.11312 174.4
[M+K]+ 297.04246 163.0
[M+H-H2O]+ 241.07656 146.2
[M+HCOO]- 303.07750 176.8
[M+CH3COO]- 317.09315 168.3
[M+Na-2H]- 279.05397 163.6
[M]+ 258.07875 161.1
[M]- 258.07985 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

literature stripe

Patent stripe

No patent data available for this compound.