CID 335880

72499-65-1

Structural Information

Molecular Formula
C17H9ClN2O
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)N5C=CC=C5C(=N4)Cl
InChI
InChI=1S/C17H9ClN2O/c18-17-13-5-3-7-20(13)14-9-16-11(8-12(14)19-17)10-4-1-2-6-15(10)21-16/h1-9H
InChIKey
FBDJYOMTQAPPQV-UHFFFAOYSA-N
Compound name
9-chloro-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

4
Patents

292.04034 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04762 163.1
[M+Na]+ 315.02956 179.7
[M-H]- 291.03306 170.6
[M+NH4]+ 310.07416 183.7
[M+K]+ 331.00350 172.8
[M+H-H2O]+ 275.03760 156.0
[M+HCOO]- 337.03854 181.6
[M+CH3COO]- 351.05419 177.6
[M+Na-2H]- 313.01501 171.6
[M]+ 292.03979 173.3
[M]- 292.04089 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe