CID 753542

Leucine, n-(2,5-dimethyloxazolo(5,4-d)pyrimidin-7-yl)-, l-

Structural Information

Molecular Formula
C13H18N4O3
SMILES
CC1=NC(=C2C(=N1)OC(=N2)C)N[C@@H](CC(C)C)C(=O)O
InChI
InChI=1S/C13H18N4O3/c1-6(2)5-9(13(18)19)17-11-10-12(15-7(3)14-11)20-8(4)16-10/h6,9H,5H2,1-4H3,(H,18,19)(H,14,15,17)/t9-/m0/s1
InChIKey
OABYFRXECDYIIL-VIFPVBQESA-N
Compound name
(2S)-2-[(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13788 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.145156 165.3
[M+Na]+ 301.127098 174.0
[M-H]- 277.130604 166.2
[M+NH4]+ 296.171703 178.3
[M+K]+ 317.101038 172.5
[M+H-H2O]+ 261.135140 157.3
[M+HCOO]- 323.136081 183.0
[M+CH3COO]- 337.151731 202.8
[M+Na-2H]- 299.112546 167.9
[M]+ 278.13733142 170.1
[M]- 278.13842858 170.1
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.