CID 392257

Nsc692398

Structural Information

Molecular Formula
C25H19N3O5
SMILES
CC1=CC2=C(C(=C1)C=NC3=CC=C(C=C3)[N+](=O)[O-])OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C
InChI
InChI=1S/C25H19N3O5/c1-16-13-17-11-12-25(27(2)24(29)21-5-3-4-6-22(21)32-25)33-23(17)18(14-16)15-26-19-7-9-20(10-8-19)28(30)31/h3-15H,1-2H3
InChIKey
VCQGNIHNDGBKKY-UHFFFAOYSA-N
Compound name
3,6'-dimethyl-8'-[(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.13248 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.13976 206.6
[M+Na]+ 464.12170 213.2
[M-H]- 440.12520 217.8
[M+NH4]+ 459.16630 214.5
[M+K]+ 480.09564 206.3
[M+H-H2O]+ 424.12974 197.7
[M+HCOO]- 486.13068 223.4
[M+CH3COO]- 500.14633 231.2
[M+Na-2H]- 462.10715 214.9
[M]+ 441.13193 206.9
[M]- 441.13303 206.9
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.