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
1
Annotation Hits

2
References

25
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

literature stripe

Patent stripe

patents stripe