CID 11544639

895155-57-4

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCOCC4)C
InChI
InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3
InChIKey
NQTMRZNYLIGQCF-UHFFFAOYSA-N
Compound name
[1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

33
Patents

339.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 181.3
[M+Na]+ 362.20904 190.9
[M-H]- 338.21254 191.7
[M+NH4]+ 357.25364 194.4
[M+K]+ 378.18298 188.1
[M+H-H2O]+ 322.21708 174.4
[M+HCOO]- 384.21802 197.5
[M+CH3COO]- 398.23367 192.2
[M+Na-2H]- 360.19449 182.6
[M]+ 339.21927 185.9
[M]- 339.22037 185.9
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.