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 191.4
[M+Na]+ 399.16790 196.8
[M-H]- 375.17140 199.3
[M+NH4]+ 394.21250 201.0
[M+K]+ 415.14184 192.5
[M+H-H2O]+ 359.17594 180.7
[M+HCOO]- 421.17688 206.8
[M+CH3COO]- 435.19253 200.2
[M+Na-2H]- 397.15335 191.0
[M]+ 376.17813 191.7
[M]- 376.17923 191.7
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.