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

76
Patents

311.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 175.5
[M+Na]+ 334.21412 187.0
[M-H]- 310.21762 183.0
[M+NH4]+ 329.25872 191.7
[M+K]+ 350.18806 182.0
[M+H-H2O]+ 294.22216 169.7
[M+HCOO]- 356.22310 195.6
[M+CH3COO]- 370.23875 213.2
[M+Na-2H]- 332.19957 177.5
[M]+ 311.22435 184.3
[M]- 311.22545 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.