CID 122706218

(e,2s)-2-amino-5-[[4-hydroxy-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-2-yl]amino]pent-4-enoic acid

Structural Information

Molecular Formula
C18H20N4O4
SMILES
C[C@H](C1=CNC2=CC=CC=C21)C3=C(N=C(O3)N/C=C/C[C@@H](C(=O)O)N)O
InChI
InChI=1S/C18H20N4O4/c1-10(12-9-21-14-7-3-2-5-11(12)14)15-16(23)22-18(26-15)20-8-4-6-13(19)17(24)25/h2-5,7-10,13,21,23H,6,19H2,1H3,(H,20,22)(H,24,25)/b8-4+/t10-,13+/m1/s1
InChIKey
ISXSLHPUGXAZHN-VTFVAFMWSA-N
Compound name
(E,2S)-2-amino-5-[[4-hydroxy-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-2-yl]amino]pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

356.14847 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 183.1
[M+Na]+ 379.13769 188.5
[M-H]- 355.14119 185.6
[M+NH4]+ 374.18229 193.3
[M+K]+ 395.11163 184.7
[M+H-H2O]+ 339.14573 175.3
[M+HCOO]- 401.14667 200.4
[M+CH3COO]- 415.16232 212.4
[M+Na-2H]- 377.12314 182.1
[M]+ 356.14792 182.9
[M]- 356.14902 182.9
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.