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]+ 340.26351 182.8
[M+Na]+ 362.24545 193.1
[M-H]- 338.24895 190.0
[M+NH4]+ 357.29005 197.8
[M+K]+ 378.21939 188.3
[M+H-H2O]+ 322.25349 177.1
[M+HCOO]- 384.25443 201.4
[M+CH3COO]- 398.27008 219.6
[M+Na-2H]- 360.23090 182.8
[M]+ 339.25568 191.8
[M]- 339.25678 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.