CID 476889

[(5s)-3-[4-(1-methoxycarbonyl-3,6-dihydro-2h-pyridin-4-yl)phenyl]-4,5-dihydroisoxazol-5-yl]methylcarbamic acid

Structural Information

Molecular Formula
C18H21N3O5
SMILES
COC(=O)N1CCC(=CC1)C2=CC=C(C=C2)C3=NO[C@@H](C3)CNC(=O)O
InChI
InChI=1S/C18H21N3O5/c1-25-18(24)21-8-6-13(7-9-21)12-2-4-14(5-3-12)16-10-15(26-20-16)11-19-17(22)23/h2-6,15,19H,7-11H2,1H3,(H,22,23)/t15-/m0/s1
InChIKey
DMAVRLUSRNIBDI-HNNXBMFYSA-N
Compound name
[(5S)-3-[4-(1-methoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.14813 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15541 183.4
[M+Na]+ 382.13735 187.3
[M-H]- 358.14085 189.5
[M+NH4]+ 377.18195 192.0
[M+K]+ 398.11129 185.5
[M+H-H2O]+ 342.14539 173.6
[M+HCOO]- 404.14633 199.6
[M+CH3COO]- 418.16198 211.5
[M+Na-2H]- 380.12280 182.8
[M]+ 359.14758 182.3
[M]- 359.14868 182.3
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.