CID 86294067

1638588-92-7

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC1=C(N=CC=C1)OCC(C)(C)NC(=O)C2[C@H]3[C@@H]2CNC3
InChI
InChI=1S/C16H23N3O2/c1-10-5-4-6-18-15(10)21-9-16(2,3)19-14(20)13-11-7-17-8-12(11)13/h4-6,11-13,17H,7-9H2,1-3H3,(H,19,20)/t11-,12+,13?
InChIKey
PCINBSQTEDBZDB-FUNVUKJBSA-N
Compound name
(1S,5R)-N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

289.17902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.186296 171.7
[M+Na]+ 312.168238 179.1
[M-H]- 288.171744 175.5
[M+NH4]+ 307.212843 181.9
[M+K]+ 328.142178 173.6
[M+H-H2O]+ 272.176280 164.4
[M+HCOO]- 334.177221 188.4
[M+CH3COO]- 348.192871 204.8
[M+Na-2H]- 310.153686 174.4
[M]+ 289.17847142 173.5
[M]- 289.17956858 173.5
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

patents stripe