CID 135398673

Nocardicin e

Structural Information

Molecular Formula
C19H17N3O7
SMILES
C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)/C(=N\O)/C3=CC=C(C=C3)O
InChI
InChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/b21-15-/t14-,16+/m0/s1
InChIKey
NMMOYDKOFASOBV-HKHZIIAMSA-N
Compound name
(2R)-2-[(3S)-3-[[(2Z)-2-hydroxyimino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

399.10666 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.11394 199.1
[M+Na]+ 422.09588 201.9
[M+NH4]+ 417.14048 196.8
[M+K]+ 438.06982 202.2
[M-H]- 398.09938 196.7
[M+Na-2H]- 420.08133 198.6
[M]+ 399.10611 196.8
[M]- 399.10721 196.8
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

patents stripe