CID 129320480

(e)-1-(l-cysteinylglycin-s-yl)-n-hydroxy-2-(4-hydroxyphenyl)ethan-1-imine

Structural Information

Molecular Formula
C13H17N3O5S
SMILES
C1=CC(=CC=C1C/C(=N/O)/SC[C@@H](C(=O)NCC(=O)O)N)O
InChI
InChI=1S/C13H17N3O5S/c14-10(13(20)15-6-12(18)19)7-22-11(16-21)5-8-1-3-9(17)4-2-8/h1-4,10,17,21H,5-7,14H2,(H,15,20)(H,18,19)/b16-11-/t10-/m0/s1
InChIKey
XWMFADDZWPFBPQ-WSJCWXPMSA-N
Compound name
2-[[(2R)-2-amino-3-[(Z)-N-hydroxy-C-[(4-hydroxyphenyl)methyl]carbonimidoyl]sulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.0889 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09618 173.1
[M+Na]+ 350.07812 175.0
[M-H]- 326.08162 172.4
[M+NH4]+ 345.12272 184.0
[M+K]+ 366.05206 172.1
[M+H-H2O]+ 310.08616 165.1
[M+HCOO]- 372.08710 187.6
[M+CH3COO]- 386.10275 208.3
[M+Na-2H]- 348.06357 171.0
[M]+ 327.08835 171.9
[M]- 327.08945 171.9
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.