CID 3087414

114439-80-4

Structural Information

Molecular Formula
C30H24N2O4
SMILES
CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)N=CC5=CC=C(C=C5)OC
InChI
InChI=1S/C30H24N2O4/c1-20-7-11-23(12-8-20)30-32(29(34)26-5-3-4-6-27(26)36-30)28(33)22-13-15-24(16-14-22)31-19-21-9-17-25(35-2)18-10-21/h3-19,30H,1-2H3
InChIKey
AYYQAUUFMCPAEM-UHFFFAOYSA-N
Compound name
3-[4-[(4-methoxyphenyl)methylideneamino]benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.1736 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18088 220.6
[M+Na]+ 499.16282 226.7
[M-H]- 475.16632 233.9
[M+NH4]+ 494.20742 225.6
[M+K]+ 515.13676 221.7
[M+H-H2O]+ 459.17086 206.4
[M+HCOO]- 521.17180 238.4
[M+CH3COO]- 535.18745 228.3
[M+Na-2H]- 497.14827 221.5
[M]+ 476.17305 222.0
[M]- 476.17415 222.0
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.