CID 100404

Brn 0576753

Structural Information

Molecular Formula
C23H24N2O3
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CC(=O)CN4CCOCC4
InChI
InChI=1S/C23H24N2O3/c1-24-20-10-6-5-9-19(20)22(23(24)17-7-3-2-4-8-17)21(27)15-18(26)16-25-11-13-28-14-12-25/h2-10H,11-16H2,1H3
InChIKey
WBQRYQHWENNYCI-UHFFFAOYSA-N
Compound name
1-(1-methyl-2-phenylindol-3-yl)-4-morpholin-4-ylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 190.3
[M+Na]+ 399.16790 204.4
[M+NH4]+ 394.21250 197.2
[M+K]+ 415.14184 198.9
[M-H]- 375.17140 196.3
[M+Na-2H]- 397.15335 197.2
[M]+ 376.17813 194.0
[M]- 376.17923 194.0
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.