CID 11584525

[1-[2-(4-morpholinyl)ethyl]-1h-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4)C
InChI
InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
InChIKey
ZCFHOMLAFTWDFM-UHFFFAOYSA-N
Compound name
[1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

18
Patents

354.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 189.0
[M+Na]+ 377.21996 198.4
[M-H]- 353.22346 197.8
[M+NH4]+ 372.26456 200.0
[M+K]+ 393.19390 195.2
[M+H-H2O]+ 337.22800 180.9
[M+HCOO]- 399.22894 203.8
[M+CH3COO]- 413.24459 198.9
[M+Na-2H]- 375.20541 189.7
[M]+ 354.23019 193.9
[M]- 354.23129 193.9
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