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 223.3
[M+Na]+ 525.15920 218.2
[M-H]- 501.16270 223.9
[M+NH4]+ 520.20380 215.9
[M+K]+ 541.13314 222.9
[M+H-H2O]+ 485.16724 204.9
[M+HCOO]- 547.16818 232.8
[M+CH3COO]- 561.18383 246.1
[M+Na-2H]- 523.14465 215.0
[M]+ 502.16943 227.7
[M]- 502.17053 227.7
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.