CID 6439822

Antibiotic a 19009

Structural Information

Molecular Formula
C10H16N4O5
SMILES
C[C@@H](C(=O)N[C@@H](CNC(=O)/C=C/C(=O)N)C(=O)O)N
InChI
InChI=1S/C10H16N4O5/c1-5(11)9(17)14-6(10(18)19)4-13-8(16)3-2-7(12)15/h2-3,5-6H,4,11H2,1H3,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/b3-2+/t5-,6-/m0/s1
InChIKey
GDQNPKRTTCRUSH-KXQHVCLCSA-N
Compound name
(2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

272.11206 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11934 162.6
[M+Na]+ 295.10128 162.8
[M+NH4]+ 290.14588 163.3
[M+K]+ 311.07522 164.5
[M-H]- 271.10478 157.7
[M+Na-2H]- 293.08673 158.7
[M]+ 272.11151 159.8
[M]- 272.11261 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe