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]+ 477.180876 220.6
[M+Na]+ 499.162818 226.7
[M-H]- 475.166324 233.9
[M+NH4]+ 494.207423 225.6
[M+K]+ 515.136758 221.7
[M+H-H2O]+ 459.170860 206.4
[M+HCOO]- 521.171801 238.4
[M+CH3COO]- 535.187451 228.3
[M+Na-2H]- 497.148266 221.5
[M]+ 476.17305142 222.0
[M]- 476.17414858 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.