CID 45837

Brn 0541673

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCC(=O)N1C2CCC1CN(C2)CCNC3=CC=CC=C3
InChI
InChI=1S/C17H25N3O/c1-2-17(21)20-15-8-9-16(20)13-19(12-15)11-10-18-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13H2,1H3
InChIKey
ZGJOXLCSIYUFJN-UHFFFAOYSA-N
Compound name
1-[3-(2-anilinoethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.19977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 170.4
[M+Na]+ 310.18899 174.1
[M-H]- 286.19249 172.4
[M+NH4]+ 305.23359 186.1
[M+K]+ 326.16293 169.8
[M+H-H2O]+ 270.19703 161.3
[M+HCOO]- 332.19797 186.1
[M+CH3COO]- 346.21362 204.9
[M+Na-2H]- 308.17444 172.0
[M]+ 287.19922 167.3
[M]- 287.20032 167.3
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.