CID 51346964

1291779-76-4

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C23H25N3O3/c1-3-21(27)24-17-11-8-16(14-17)23(28)26(2)18-12-9-15(10-13-18)22-25-19-6-4-5-7-20(19)29-22/h4-7,9-10,12-13,16-17H,3,8,11,14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1
InChIKey
YNFDIGJKJPNFFD-SJORKVTESA-N
Compound name
(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-methyl-3-(propanoylamino)cyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

391.1896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 194.1
[M+Na]+ 414.17882 204.9
[M+NH4]+ 409.22342 200.8
[M+K]+ 430.15276 202.7
[M-H]- 390.18232 201.0
[M+Na-2H]- 412.16427 200.2
[M]+ 391.18905 197.3
[M]- 391.19015 197.3
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