CID 76285486

5'-methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro[cyclobutane-1,3'-indol]-2'-amine

Structural Information

Molecular Formula
C19H27N3O2
SMILES
COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4
InChI
InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
InChIKey
BKCDJTRMYWSXMC-UHFFFAOYSA-N
Compound name
5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

63
Patents

329.21033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.217606 175.7
[M+Na]+ 352.199548 180.3
[M-H]- 328.203054 181.9
[M+NH4]+ 347.244153 186.9
[M+K]+ 368.173488 179.0
[M+H-H2O]+ 312.207590 162.6
[M+HCOO]- 374.208531 193.2
[M+CH3COO]- 388.224181 212.9
[M+Na-2H]- 350.184996 175.4
[M]+ 329.20978142 184.1
[M]- 329.21087858 184.1
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