CID 288586

38478-71-6

Structural Information

Molecular Formula
C18H10N2O
SMILES
C1=CC=C2C(=C1)C3=NC=CC4=C3N(C2=O)C5=CC=CC=C45
InChI
InChI=1S/C18H10N2O/c21-18-14-7-2-1-6-12(14)16-17-13(9-10-19-16)11-5-3-4-8-15(11)20(17)18/h1-10H
InChIKey
VODSHQYSLMKQCD-UHFFFAOYSA-N
Compound name
1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

270.0793 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08658 159.0
[M+Na]+ 293.06852 173.3
[M-H]- 269.07202 164.7
[M+NH4]+ 288.11312 179.0
[M+K]+ 309.04246 165.7
[M+H-H2O]+ 253.07656 150.0
[M+HCOO]- 315.07750 180.6
[M+CH3COO]- 329.09315 172.6
[M+Na-2H]- 291.05397 170.2
[M]+ 270.07875 165.3
[M]- 270.07985 165.3
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