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 219.9
[M+Na]+ 491.23052 224.7
[M-H]- 467.23402 230.0
[M+NH4]+ 486.27512 228.9
[M+K]+ 507.20446 219.3
[M+H-H2O]+ 451.23856 208.2
[M+HCOO]- 513.23950 240.6
[M+CH3COO]- 527.25515 244.0
[M+Na-2H]- 489.21597 217.5
[M]+ 468.24075 226.4
[M]- 468.24185 226.4
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.