CID 57507905

Rcs-4-c4 homolog

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H21NO2/c1-3-4-13-21-14-18(17-7-5-6-8-19(17)21)20(22)15-9-11-16(23-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3
InChIKey
INTUAOVLJFCJIP-UHFFFAOYSA-N
Compound name
(1-butylindol-3-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

307.15723 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 174.1
[M+Na]+ 330.14645 182.9
[M-H]- 306.14995 180.8
[M+NH4]+ 325.19105 190.5
[M+K]+ 346.12039 177.7
[M+H-H2O]+ 290.15449 165.6
[M+HCOO]- 352.15543 196.6
[M+CH3COO]- 366.17108 207.3
[M+Na-2H]- 328.13190 176.7
[M]+ 307.15668 179.3
[M]- 307.15778 179.3
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