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-methylpyridin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

289.17902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 171.7
[M+Na]+ 312.16824 179.1
[M-H]- 288.17174 175.5
[M+NH4]+ 307.21284 181.9
[M+K]+ 328.14218 173.6
[M+H-H2O]+ 272.17628 164.4
[M+HCOO]- 334.17722 188.4
[M+CH3COO]- 348.19287 204.8
[M+Na-2H]- 310.15369 174.4
[M]+ 289.17847 173.5
[M]- 289.17957 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