CID 103693

52830-74-7

Structural Information

Molecular Formula
C28H34N4O2
SMILES
CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=C(C=C(C=C4)N(C)C)N(C)C
InChI
InChI=1S/C28H34N4O2/c1-29(2)20-11-9-19(10-12-20)28(25-16-14-22(31(5)6)18-26(25)32(7)8)24-15-13-21(30(3)4)17-23(24)27(33)34-28/h9-18H,1-8H3
InChIKey
WVSPCAHHSFSZOC-UHFFFAOYSA-N
Compound name
3-[2,4-bis(dimethylamino)phenyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

458.2682 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.27548 215.7
[M+Na]+ 481.25742 227.9
[M+NH4]+ 476.30202 224.6
[M+K]+ 497.23136 220.8
[M-H]- 457.26092 226.6
[M+Na-2H]- 479.24287 224.8
[M]+ 458.26765 220.8
[M]- 458.26875 220.8
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