CID 11537652

895155-25-6

Structural Information

Molecular Formula
C23H32N2O
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCCCN4C)C
InChI
InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3
InChIKey
MOBWRRIAIHYXLB-UHFFFAOYSA-N
Compound name
[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

352.25146 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.25874 189.3
[M+Na]+ 375.24068 199.1
[M-H]- 351.24418 197.7
[M+NH4]+ 370.28528 202.0
[M+K]+ 391.21462 193.9
[M+H-H2O]+ 335.24872 181.5
[M+HCOO]- 397.24966 204.7
[M+CH3COO]- 411.26531 199.2
[M+Na-2H]- 373.22613 188.3
[M]+ 352.25091 192.9
[M]- 352.25201 192.9
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