CID 6918186

Way-100289

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)NC(=O)C3=CC=CC=C3OCC4CC4
InChI
InChI=1S/C20H27N3O3/c1-23-15-8-9-16(23)11-14(10-15)21-20(25)22-19(24)17-4-2-3-5-18(17)26-12-13-6-7-13/h2-5,13-16H,6-12H2,1H3,(H2,21,22,24,25)/t14?,15-,16+
InChIKey
VFRIHPWRNNTKEX-MQVJKMGUSA-N
Compound name
2-(cyclopropylmethoxy)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

357.20523 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 181.3
[M+Na]+ 380.19445 185.7
[M-H]- 356.19795 188.3
[M+NH4]+ 375.23905 190.5
[M+K]+ 396.16839 180.6
[M+H-H2O]+ 340.20249 173.7
[M+HCOO]- 402.20343 198.2
[M+CH3COO]- 416.21908 220.9
[M+Na-2H]- 378.17990 181.5
[M]+ 357.20468 181.4
[M]- 357.20578 181.4
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