CID 11281360

E-3620

Structural Information

Molecular Formula
C20H26ClN3O2
SMILES
CC#C[C@H](C)OC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3C)Cl)N
InChI
InChI=1S/C20H26ClN3O2/c1-4-5-12(2)26-19-11-18(22)17(21)10-16(19)20(25)23-13-8-14-6-7-15(9-13)24(14)3/h10-15H,6-9,22H2,1-3H3,(H,23,25)/t12-,13?,14-,15+/m0/s1
InChIKey
RPFBSCLXMNVMRP-AVOUXACISA-N
Compound name
4-amino-5-chloro-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-[(2S)-pent-3-yn-2-yl]oxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.17136 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17864 188.9
[M+Na]+ 398.16058 197.8
[M+NH4]+ 393.20518 192.3
[M+K]+ 414.13452 190.0
[M-H]- 374.16408 183.0
[M+Na-2H]- 396.14603 187.0
[M]+ 375.17081 187.6
[M]- 375.17191 187.6
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