CID 117381

Einecs 248-234-4

Structural Information

Molecular Formula
C28H25N3O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)N(N=C5C)C6=CC=CC=C6
InChI
InChI=1S/C28H25N3O3/c1-4-30(5-2)20-15-16-23-24(17-20)33-26-25(18(3)29-31(26)19-11-7-6-8-12-19)28(23)22-14-10-9-13-21(22)27(32)34-28/h6-17H,4-5H2,1-3H3
InChIKey
IEPMNIMZSVAHQF-UHFFFAOYSA-N
Compound name
7'-(diethylamino)-3'-methyl-1'-phenylspiro[2-benzofuran-3,4'-chromeno[2,3-c]pyrazole]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

451.1896 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.19688 210.2
[M+Na]+ 474.17882 226.3
[M+NH4]+ 469.22342 220.0
[M+K]+ 490.15276 219.4
[M-H]- 450.18232 219.6
[M+Na-2H]- 472.16427 216.2
[M]+ 451.18905 215.6
[M]- 451.19015 215.6
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

patents stripe