CID 122706543

2'-n-hydroxynocardicin c

Structural Information

Molecular Formula
C23H26N4O9
SMILES
C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@@H](C3=CC=C(C=C3)OCC[C@H](C(=O)O)N)NO
InChI
InChI=1S/C23H26N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,26,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/t16-,17+,18-,19-/m1/s1
InChIKey
KEGRGCMKZOXTFH-FCGDIQPGSA-N
Compound name
(2R)-2-amino-4-[4-[(1R)-2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-1-(hydroxyamino)-2-oxoethyl]phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

502.16998 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.17726 227.2
[M+Na]+ 525.15920 225.4
[M+NH4]+ 520.20380 221.7
[M+K]+ 541.13314 228.2
[M-H]- 501.16270 222.8
[M+Na-2H]- 523.14465 222.7
[M]+ 502.16943 223.2
[M]- 502.17053 223.2
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.