CID 103693

Einecs 258-212-6

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
2
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 217.5
[M+Na]+ 481.25742 222.8
[M-H]- 457.26092 234.0
[M+NH4]+ 476.30202 230.7
[M+K]+ 497.23136 223.0
[M+H-H2O]+ 441.26546 206.9
[M+HCOO]- 503.26640 242.6
[M+CH3COO]- 517.28205 260.4
[M+Na-2H]- 479.24287 216.6
[M]+ 458.26765 224.3
[M]- 458.26875 224.3
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