CID 25134267

N-[(2r)-2-{[(2s)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-n-hydroxyformamide

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1
InChIKey
QDDZLTVSNABZIK-ZBFHGGJFSA-N
Compound name
N-[(2R)-2-[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidine-1-carbonyl]hexyl]-N-hydroxyformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

359.1845 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 186.2
[M+Na]+ 382.17372 190.6
[M-H]- 358.17722 191.6
[M+NH4]+ 377.21832 198.5
[M+K]+ 398.14766 189.2
[M+H-H2O]+ 342.18176 177.6
[M+HCOO]- 404.18270 204.3
[M+CH3COO]- 418.19835 216.2
[M+Na-2H]- 380.15917 184.8
[M]+ 359.18395 190.0
[M]- 359.18505 190.0
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