CID 12606303

1-(4-chlorobenzoyl)-3-(2-(1h-imidazol-1-yl)-2-oxoethyl)-5-methoxy-2-methyl-1h-indole

Structural Information

Molecular Formula
C22H18ClN3O3
SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N4C=CN=C4
InChI
InChI=1S/C22H18ClN3O3/c1-14-18(12-21(27)25-10-9-24-13-25)19-11-17(29-2)7-8-20(19)26(14)22(28)15-3-5-16(23)6-4-15/h3-11,13H,12H2,1-2H3
InChIKey
FYEOZFNVLSIPGA-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

407.10367 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11095 196.8
[M+Na]+ 430.09289 207.8
[M-H]- 406.09639 205.2
[M+NH4]+ 425.13749 208.9
[M+K]+ 446.06683 201.2
[M+H-H2O]+ 390.10093 187.0
[M+HCOO]- 452.10187 212.6
[M+CH3COO]- 466.11752 207.4
[M+Na-2H]- 428.07834 194.6
[M]+ 407.10312 204.8
[M]- 407.10422 204.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe