CID 3046549

Brn 1501074

Structural Information

Molecular Formula
C25H29NO2
SMILES
CCCC(CCC)C(=O)CC(=O)C1=C(N(C2=CC=CC=C21)C)C3=CC=CC=C3
InChI
InChI=1S/C25H29NO2/c1-4-11-18(12-5-2)22(27)17-23(28)24-20-15-9-10-16-21(20)26(3)25(24)19-13-7-6-8-14-19/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3
InChIKey
PMPQEGUDHXXCNV-UHFFFAOYSA-N
Compound name
1-(1-methyl-2-phenylindol-3-yl)-4-propylheptane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.21982 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 196.2
[M+Na]+ 398.20904 202.3
[M-H]- 374.21254 202.1
[M+NH4]+ 393.25364 209.5
[M+K]+ 414.18298 196.5
[M+H-H2O]+ 358.21708 187.1
[M+HCOO]- 420.21802 215.0
[M+CH3COO]- 434.23367 222.9
[M+Na-2H]- 396.19449 193.8
[M]+ 375.21927 201.1
[M]- 375.22037 201.1
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.