CID 3014141

Brn 1230853

Structural Information

Molecular Formula
C23H23ClN2O4
SMILES
CC1(C(=C2C=C(C=CC2=N1)OC)CC(=O)N3CCOCC3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H23ClN2O4/c1-23(22(28)15-3-5-16(24)6-4-15)19(14-21(27)26-9-11-30-12-10-26)18-13-17(29-2)7-8-20(18)25-23/h3-8,13H,9-12,14H2,1-2H3
InChIKey
OOKFHWWAUUITQR-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.13464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14192 200.4
[M+Na]+ 449.12386 208.4
[M-H]- 425.12736 208.9
[M+NH4]+ 444.16846 211.3
[M+K]+ 465.09780 203.9
[M+H-H2O]+ 409.13190 190.4
[M+HCOO]- 471.13284 211.4
[M+CH3COO]- 485.14849 209.5
[M+Na-2H]- 447.10931 200.2
[M]+ 426.13409 205.2
[M]- 426.13519 205.2
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.