CID 21707

3-indol-3-yl-2h-1,4-benzoxazin-2-one

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4OC3=O
InChI
InChI=1S/C16H10N2O2/c19-16-15(18-13-7-3-4-8-14(13)20-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H
InChIKey
JAURZMWTUPUGQM-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

262.07422 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 155.7
[M+Na]+ 285.06344 167.9
[M-H]- 261.06694 162.3
[M+NH4]+ 280.10804 171.6
[M+K]+ 301.03738 162.4
[M+H-H2O]+ 245.07148 147.3
[M+HCOO]- 307.07242 176.6
[M+CH3COO]- 321.08807 168.9
[M+Na-2H]- 283.04889 164.6
[M]+ 262.07367 158.3
[M]- 262.07477 158.3
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