CID 106771

Einecs 266-913-3

Structural Information

Molecular Formula
C28H24N2O2
SMILES
CN(C)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)N(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H24N2O2/c1-29(2)22-19-17-21(18-20-22)28(26-16-10-9-15-25(26)27(31)32-28)30(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-20H,1-2H3
InChIKey
CJHMJVWTJNXUPY-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-3-(N-phenylanilino)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.18378 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19106 204.2
[M+Na]+ 443.17300 209.8
[M-H]- 419.17650 220.5
[M+NH4]+ 438.21760 216.9
[M+K]+ 459.14694 206.3
[M+H-H2O]+ 403.18104 192.6
[M+HCOO]- 465.18198 227.6
[M+CH3COO]- 479.19763 214.3
[M+Na-2H]- 441.15845 207.1
[M]+ 420.18323 205.7
[M]- 420.18433 205.7
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