CID 100405

Brn 1607818

Structural Information

Molecular Formula
C30H32N2O3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=O)CC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4
InChI
InChI=1S/C30H32N2O3/c1-4-32(5-2)19-20-35-24-17-15-22(16-18-24)27(33)21-28(34)29-25-13-9-10-14-26(25)31(3)30(29)23-11-7-6-8-12-23/h6-18H,4-5,19-21H2,1-3H3
InChIKey
UCJDTIMQPUIPQD-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(1-methyl-2-phenylindol-3-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2413 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.24858 218.1
[M+Na]+ 491.23052 232.4
[M+NH4]+ 486.27512 224.5
[M+K]+ 507.20446 225.1
[M-H]- 467.23402 224.5
[M+Na-2H]- 489.21597 226.4
[M]+ 468.24075 222.0
[M]- 468.24185 222.0
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.