CID 137304912

Pre-pseudomonine

Structural Information

Molecular Formula
C16H18N4O4
SMILES
C[C@@H]1[C@H](N=C(O1)C2=CC=CC=C2O)C(=O)N(CCC3=CN=CN3)O
InChI
InChI=1S/C16H18N4O4/c1-10-14(16(22)20(23)7-6-11-8-17-9-18-11)19-15(24-10)12-4-2-3-5-13(12)21/h2-5,8-10,14,21,23H,6-7H2,1H3,(H,17,18)/t10-,14+/m1/s1
InChIKey
VUWQVSPTFMKLPM-YGRLFVJLSA-N
Compound name
(4S,5R)-N-hydroxy-2-(2-hydroxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1328 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 174.5
[M+Na]+ 353.12202 180.2
[M-H]- 329.12552 179.5
[M+NH4]+ 348.16662 184.4
[M+K]+ 369.09596 177.9
[M+H-H2O]+ 313.13006 165.4
[M+HCOO]- 375.13100 191.9
[M+CH3COO]- 389.14665 205.1
[M+Na-2H]- 351.10747 173.6
[M]+ 330.13225 174.6
[M]- 330.13335 174.6
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.