CID 468698

N-(2-(phenylimino)-2h-1,4-benzoxazin-3(4h)-ylidene)aniline

Structural Information

Molecular Formula
C20H15N3O
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2=NC4=CC=CC=C4
InChI
InChI=1S/C20H15N3O/c1-3-9-15(10-4-1)21-19-20(22-16-11-5-2-6-12-16)24-18-14-8-7-13-17(18)23-19/h1-14H,(H,21,23)
InChIKey
INKCUMHTRPIKSY-UHFFFAOYSA-N
Compound name
N-phenyl-2-phenylimino-1,4-benzoxazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.12152 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12880 171.8
[M+Na]+ 336.11074 179.6
[M-H]- 312.11424 182.8
[M+NH4]+ 331.15534 183.9
[M+K]+ 352.08468 174.4
[M+H-H2O]+ 296.11878 160.6
[M+HCOO]- 358.11972 196.6
[M+CH3COO]- 372.13537 183.3
[M+Na-2H]- 334.09619 182.7
[M]+ 313.12097 171.8
[M]- 313.12207 171.8
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.