CID 124518674

(1-(5-methylhexyl)-1h-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

Structural Information

Molecular Formula
C23H33NO
SMILES
CC(C)CCCCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C
InChI
InChI=1S/C23H33NO/c1-16(2)11-9-10-14-24-15-18(17-12-7-8-13-19(17)24)20(25)21-22(3,4)23(21,5)6/h7-8,12-13,15-16,21H,9-11,14H2,1-6H3
InChIKey
JOVRITWYDROVAQ-UHFFFAOYSA-N
Compound name
[1-(5-methylhexyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.25623 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.263506 182.8
[M+Na]+ 362.245448 193.1
[M-H]- 338.248954 190.0
[M+NH4]+ 357.290053 197.8
[M+K]+ 378.219388 188.3
[M+H-H2O]+ 322.253490 177.1
[M+HCOO]- 384.254431 201.4
[M+CH3COO]- 398.270081 219.6
[M+Na-2H]- 360.230896 182.8
[M]+ 339.25568142 191.8
[M]- 339.25677858 191.8
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.