CID 335654

72499-62-8

Structural Information

Molecular Formula
C23H14N2O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C4C(=C3)C5=CC=CC=C5O4)N6C2=CC=C6
InChI
InChI=1S/C23H14N2O/c1-2-7-15(8-3-1)23-19-10-6-12-25(19)20-14-22-17(13-18(20)24-23)16-9-4-5-11-21(16)26-22/h1-14H
InChIKey
RNAZNJARMSUVPG-UHFFFAOYSA-N
Compound name
9-phenyl-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

334.11063 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11791 176.3
[M+Na]+ 357.09985 190.6
[M-H]- 333.10335 186.9
[M+NH4]+ 352.14445 193.6
[M+K]+ 373.07379 183.3
[M+H-H2O]+ 317.10789 167.3
[M+HCOO]- 379.10883 198.4
[M+CH3COO]- 393.12448 189.5
[M+Na-2H]- 355.08530 183.9
[M]+ 334.11008 183.3
[M]- 334.11118 183.3
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

No patent data available for this compound.