CID 2298575

Brn 4886174

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=C(C2=C(N1C)C=CC(=C2)OC)C3N4CC5(CN3CC(C4)(C5=O)C)C
InChI
InChI=1S/C21H27N3O2/c1-13-17(15-8-14(26-5)6-7-16(15)22(13)4)18-23-9-20(2)10-24(18)12-21(3,11-23)19(20)25/h6-8,18H,9-12H2,1-5H3
InChIKey
OEEJEIOABUQVPK-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21033 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 185.5
[M+Na]+ 376.19955 192.9
[M-H]- 352.20305 182.3
[M+NH4]+ 371.24415 206.5
[M+K]+ 392.17349 187.1
[M+H-H2O]+ 336.20759 174.0
[M+HCOO]- 398.20853 189.1
[M+CH3COO]- 412.22418 192.8
[M+Na-2H]- 374.18500 191.3
[M]+ 353.20978 191.7
[M]- 353.21088 191.7
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.