CID 44626619

1199943-44-6

Structural Information

Molecular Formula
C21H29NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C
InChI
InChI=1S/C21H29NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3
InChIKey
NBMMIBNZVQFQEO-UHFFFAOYSA-N
Compound name
(1-pentylindol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

80
Patents

311.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 175.5
[M+Na]+ 334.214118 187.0
[M-H]- 310.217624 183.0
[M+NH4]+ 329.258723 191.7
[M+K]+ 350.188058 182.0
[M+H-H2O]+ 294.222160 169.7
[M+HCOO]- 356.223101 195.6
[M+CH3COO]- 370.238751 213.2
[M+Na-2H]- 332.199566 177.5
[M]+ 311.22435142 184.3
[M]- 311.22544858 184.3
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