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]+ 376.227096 196.2
[M+Na]+ 398.209038 202.3
[M-H]- 374.212544 202.1
[M+NH4]+ 393.253643 209.5
[M+K]+ 414.182978 196.5
[M+H-H2O]+ 358.217080 187.1
[M+HCOO]- 420.218021 215.0
[M+CH3COO]- 434.233671 222.9
[M+Na-2H]- 396.194486 193.8
[M]+ 375.21927142 201.1
[M]- 375.22036858 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.