CID 71270

Ambasilide

Structural Information

Molecular Formula
C21H25N3O
SMILES
C1C2CN(CC1CN(C2)C(=O)C3=CC=C(C=C3)N)CC4=CC=CC=C4
InChI
InChI=1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2
InChIKey
DLNAKYFPFYUBDR-UHFFFAOYSA-N
Compound name
(4-aminophenyl)-(7-benzyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

58
Patents

335.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.207046 182.1
[M+Na]+ 358.188988 185.3
[M-H]- 334.192494 186.2
[M+NH4]+ 353.233593 193.0
[M+K]+ 374.162928 179.0
[M+H-H2O]+ 318.197030 170.9
[M+HCOO]- 380.197971 194.7
[M+CH3COO]- 394.213621 189.5
[M+Na-2H]- 356.174436 184.2
[M]+ 335.19922142 174.8
[M]- 335.20031858 174.8
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