CID 16077372

Pdf-611

Structural Information

Molecular Formula
C18H26N4O4
SMILES
CCCC[C@H](CN(C=O)O)C(=O)N1CCCC1C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C18H26N4O4/c1-2-3-7-14(12-21(26)13-23)18(25)22-11-6-8-15(22)17(24)20-16-9-4-5-10-19-16/h4-5,9-10,13-15,26H,2-3,6-8,11-12H2,1H3,(H,19,20,24)/t14-,15?/m1/s1
InChIKey
OQGLKSMKJDDPFV-GICMACPYSA-N
Compound name
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyridin-2-ylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.1954 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20268 186.5
[M+Na]+ 385.18462 187.5
[M-H]- 361.18812 189.3
[M+NH4]+ 380.22922 196.4
[M+K]+ 401.15856 186.0
[M+H-H2O]+ 345.19266 176.5
[M+HCOO]- 407.19360 204.3
[M+CH3COO]- 421.20925 219.2
[M+Na-2H]- 383.17007 184.2
[M]+ 362.19485 185.8
[M]- 362.19595 185.8
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

No patent data available for this compound.